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THE
CHEMICAL COMPONENTS
OF
TOBACCO
AND
TOBACCO SMOKE

by
Alan Rodgman
2828 Birchwood Drive
Winston-Salem, North Carolina,
27103-3410, USA
and
Thomas A. Perfetti
Perfetti and Perfetti, LLC
2116 New Castle Drive
Winston-Salem, North Carolina,
27103-5750, USA

ALPHABETICAL INDEX
TO COMPONENTS
IDENTIFIED
IN TOBACCO,
TOBACCO SMOKE,
AND
TOBACCO SUBSTITUTE
SMOKE

1

The Alphabetical Index to Components Identified in Tobacco, Tobacco
Smoke, and Tobacco Substitute Smoke
The Index was created for two purposes. The first was to capture in one site all the basic information on
the identified tobacco and tobacco smoke components discussed in the chapters of the book.

The

components in the Index are listed alphabetically. Secondly, the Index may permit the reader to easily
retrieve or search for information on a specific tobacco and/or smoke component or class of components so
that further study will be facilitated. To achieve these goals, the Index was constructed to include the
following: 1) The CAS No. for many of the components, 2) an indication of the component identification in
tobacco, tobacco smoke, or both, 3) the structure of many of the components, 4) the table number and
chapter in which the component is not only referenced but its properties are described, particularly if they
are considered adverse, 5) for multifunctional components, several chapters and table numbers are cited.
Additionally, the publishers of the book, Taylor and Francis Books/CRC Press of Boca Raton, FL, have
provided a Compact Disk (read-only memory) (CD-ROM) format of the book. Hopefully, the searchable
format of the CD-ROM will aid the reader in retrieving any desired information.

The Index comprises almost 8700 components completely or partially identified in tobacco, tobacco smoke,
and tobacco substitute smoke. It includes not only over 8400 identified components but also several
hundred compounds not identified in tobacco or tobacco smoke but reported by Doull et al. (1053) as
tobacco ingredients used in the U.S.A. and by Baker et al. (172a, 174b) as tobacco ingredients used outside
the U.S.A. and in a summary by Rodgman (3266) and in our Chapter 24. Because the transfer from a
tobacco product to smoke of very few of the added ingredients has been examined, they primarily are listed
as tobacco components. Exceptions include several humectants used in tobacco products for many years.
However, it should be noted that the detailed pyrolysis study by Baker and Bishop (172a) indicated that
many such added ingredients would transfer in part to MSS during the tobacco smoking process.

In some instances, the reader may wonder about the peculiar nature of the component listing. For example,
a tobacco smoke component initially reported as 2-butene was later shown to be present in the smoke as
cis- and trans-2-butene. Thus, three items are listed in the Index for 2-butene, namely, 2-butene (CAS No.
107-10-7), 2-butene, (Z)- (CAS No. 590-18-1), and 2-butene, (E)- (CAS No. 624-64-6). In the appropriate
chapter and table, Chapter 1, Table I.B-1, references to the identification of each are provided.

2-

Butenedioic acid is similarly listed in Chapter 4, Table IV.A-3 as 2-butenedioic acid (CAS No. 6915-18-0),
2-butenedioic acid, (Z)- (maleic acid) (CAS No. 110-16-7), 2-butenedioic acid, (E)- (fumaric acid) (CAS
No. 110-17-8).

The reader will also find in the Index certain broad classifications of components, like oxidases and free
radicals. These and similar examples in the Index are not there to confuse the reader, as many of the

2

individual components in the broad classifications have specific CAS numbers a. Generally, the references
associated with these classes of components (found within the chapters noted in the Index) will provide the
reader with information of a common nature. In nearly all cases, individual components such as ascorbate
oxidase, choline oxidase, cytochrome oxidase, and glycolate oxidase follow after the broadly classified
component, oxidase. Likewise, specific free radicals such as methyl-acyl radical, ethyl-acyl radical, and
propyl-acyl radical {2 isomers}may be found in the Index. For some components in the Index, several
partially identified isomers exist, their number noted, and included in the total number of components
identified in tobacco and/or smoke.

While the number of enzymes, genes, and nucleotides listed in the Index is fewer than 500, their known
number, as noted in Chapter 21, exceeds many thousands. The paltry number of enzymes, genes, and
nucleotides listed in Chapter 21, Table XXI-2 was never intended to represent the total biological agents
operating in the plant. Those selected for inclusion were from texts, research manuscripts, and patents
where active research was conducted in the past in attempts to better understand the physiology and
biochemistry of tobacco. As future genetic research develops, it is envisioned that the identity and function
of hundreds of thousands of additional chemicals will be published.

The authors hope that the format of the Index and accompanying CD-ROM will help the reader to reach a
better understanding of the components of tobacco and tobacco smoke.

a

Each CAS Registry Number used throughout the Alphabetical Components Index and the various preceding chapters
is a Registered Trademark of the American Chemical Society.

3

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke,
and Tobacco Substitute Smoke
Note: S = tobacco smoke component, T = tobacco component, ST = component of both S and T
Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1.

202-03-9

1

0

0

Aceanthrylene

I.E

2.

340-99-8

1

0

0

Acenaphth[1,2-a]acenaphthylene

I.E

3.

71265-26-4

1

0

0

Acenaphth[1,2-a]acenaphthylene, methyl-

I.E

4.

206-49-5

1

0

0

Acenaphtho[1,2-b]pyridine

Name (per CA Collective Index)

Chapter
Table

Selected structures

{7-azafluoranthene}

XVII.E

N

5.

208-96-8

1

0

0

Acenaphthylene

1

I.E

2

3

8

4

7
6

5

6.

83-32-9

1

0

0

Acenaphthylene, 1,2-dihydro-

{acenaphthene}

I.E

7.

60684-29-9

1

0

0

Acenaphthylene, 1,2-dihydrodimethyl-

I.E

8.

36541-21-6

1

0

0

Acenaphthylene, 1,2-dihydromethyl-

I.E

9.

60826-72-4

1

0

0

Acenaphthylene, 1,2-dihydrotetramethyl-

I.E

10.

60826-69-9

1

0

0

Acenaphthylene, 1,2-dihydrotrimethyl-

I.E

11.

60826-68-8

1

0

0

Acenaphthylene, dimethyl-

I.E

12.

19346-00-0

1

0

0

Acenaphthylene, 1,3-dimethyl-

I.E

13.

58548-40-6

1

0

0

Acenaphthylene, diphenyl-

I.E

14.

58548-38-2

1

0

0

Acenaphthylene, methyl-

I.E

15.

19345-99-4

1

0

0

Acenaphthylene, 1-methyl-

I.E

16.

19345-94-9

1

0

0

Acenaphthylene, 3-methyl-

I.E

17.

19345-97-2

1

0

0

Acenaphthylene, 4-methyl-

I.E

18.

19345-91-6

1

0

0

Acenaphthylene, 5-methyl-

I.E

19.

60826-73-5

1

0

0

Acenaphthylene, tetramethyl-

I.E

20.

60826-70-2

1

0

0

Acenaphthylene, trimethyl-

I.E

21.

201-06-9

1

0

0

Acephenanthrylene

I.E

22.

6232-48-0

1

0

0

Acephenanthrylene, 4,5-dihydro-

I.E

4

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

23.

75-07-0

1

0

0

Acetaldehyde

24.

5371-49-3

1

0

0

Acetaldehyde, (acetyloxy)-

H3C-COO-CH2-CH=O

25.

6542-88-7

1

0

0

Acetaldehyde, amino-

H2N-CH2-CH=O

III-12, XII-2

26.

141-46-8

1

0

0

Acetaldehyde, hydroxy-

HO-CH2-CH=O

III-12, II.A-6

1

0

0

Acetaldehyde, methoxy-

0

1

0

Acetaldehyde, (2,6,6-trimethyl-4-oxo-2-cyclohexen1-ylidene)-

27.
28.

16825-04-0

Name (per CA Collective Index)

Chapter
Table

Selected structures
H3C-CH=O

{glycolaldehyde}

60-35-5

1

0

0

30.

1113-68-4

1

1

1

Acetamide
Acetamide, N-acetyl-N-methyl-

31.

1119-49-9

1

0

0

Acetamide, N-butyl-

32.

15972-60-8

0

1

0

Acetamide, 2-chloro-N-(2,6-diethylphenyl)-N(methoxymethyl){Alachlor®}

III-12

H3C-O-CH2-CH=O
H3C

III-12, X-2
III-12, III-13

CH3
CH2-CH=O

O

29.

III-12

CH3

H3C-CO-NH2

XIII-1

CH
H3C-CO-N< 3
CO-CH3

XIII-1

H3C-CO-NH-C4H9

XIII-1
XIII-1, XVIII.B-3,
XXI-3

CH3
CO-CH2-Cl
N
CH2-OCH3
C2H5

33.

51218-45-2

0

1

0

Acetamide, 2-chloro-N-(2-ethyl-6-methylphenyl)-N(2-methoxy-1-methylethyl){Metolachlor®}

X-2, XIII-1,
XVIII.B-3, XXI-3

CH3
CO-CH2-Cl
N
CH-CH2-OCH3
C2H5

34.
35.

107-91-5
57966-95-7

1
0

0
1

0
0

Acetamide, 2-cyanoAcetamide, 2-cyano-2-methoxyimino-N(ethylcarbamoyl){Cymoxanil®}

CH3

NC-CH2-CO-NH2
CN
H
N

XI-2, XIII-1
XI-2, XIII-1, XXI-3

H
N

N
O

O

O

36.

685-91-6

1

0

0

Acetamide, N,N-diethyl-

H3C-CO-N=(C2H5)2

XIII-1

37.

127-19-5

1

1

1

Acetamide, N,N-dimethyl

H3C-CO-N=(CH3)2

XIII-1

38.

625-50-3

1

0

0

Acetamide, N-ethyl-

H3C-CO-NH-C2H5

XIII-1

39.

38806-26-7

1

0

0

Acetamide, N-ethyl-N-methyl-

CH3
H3C-CO-N<
C2H5

XIII-1

40.

5663-62-7

1

0

0

Acetamide, N-(2-furanylmethyl)-

41.

621-42-1

0

1

0

Acetamide, 3-hydroxyphenyl-

42.

79-16-3

1

0

0

Acetamide, N-methyl-

H3C-CO-NH-CH3

XIII-1

43.

54824-90-7

1

0

0

Acetamide, N-(2-methylbutyl)-

H3C-CO-NH-CH2-CH(CH3)-C2H5

XIII-1

44.

13434-12-3

0

1

0

Acetamide, N-(3-methylbutyl)

H3C-CO-NH-(CH2)2-CH=(CH3)2

XIII-1

45.

1189-05-5

1

0

0

Acetamide, N-(1-methylpropyl)-

H3C-CO-NH-CH(CH3)-C2H5

XIII-1

46.

1540-94-9

1

1

1

Acetamide, N-(2-methylpropyl)-

H3C-CO-NH-CH2-CH=(CH3)2

47.

7737-16-8

1

0

0

Acetamide, N-(2-oxopropyl)-

H3C-CO-NH-CH2-CO-CH3

48.

103-84-4

1

0

0

Acetamide, N-phenyl-

H3C-CO-NH-C6H5

XIII-1

49.

877-95-2

1

0

0

Acetamide, N-(2-phenylethyl)-

H3C-CO-NH-CH2-CH2-C6H5

XIII-1

50.

692-33-1

1

0

0

Acetamide, N-2-propenyl-

H3C-CO-NH-CH2-CH=CH2

XIII-1

51.

5331-48-6

1

0

0

Acetamide, N-propyl-

H3C-CO-NH-C3H7

52.

354-38-1

1

0

0

Acetamide, 2,2,2-trifluoro-

F3C-CO-NH2

X-2, XIII-1
IX-22, XIII-1

XIII-1
III-13, XIII-1

XIII-1
XIII-1, XVIII.B-3

5

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

53.

CAS No.

S

T

S
T

16752-77-5

0

1

0

Name (per CA Collective Index)
Acetamidic acid, thio-, N-[(methylcarbamoyl)oxy]-,
methyl ester
{Methomyl®}

XIII-1, XXI-3

O
S

N
O

54.

Chapter
Table

Selected structures

N
H

1

0

0

Acetate

H3C-COO-

XX-6

H3C-COOH

IV.A-3

55.

64-19-7

1

1

1

Acetic acid

56.

13831-30-6

1

1

1

Acetic acid, (acetyloxy)-

H3C-COO-CH2-COOH

57.

108-24-7

1

0

0

Acetic acid, anhydride

(H3C-CO)2O

58.

162188-92-3

0

1

0

Acetic acid, bromo-, 7,9,9-trimethyl-8-oxo-1,4dioxaspiro[4.5]dec-7-yl ester, (±)-

59.

123-86-4

1

1

1

Acetic acid, butyl ester

60.

79-43-6

0

1

0

Acetic acid, dichloro-

{butyl acetate}

IV.A-3, V-3
VII-1
V-3, XVIII.B-3

H3C-COO-C4H9

V-3

Cl2CH-COOH

IV.A-3

61.

94-75-7

0

1

0

Acetic acid, 2,4-dichlorophenoxy-

62.

162188-93-4

0

1

0

Acetic acid, (diethoxyphosphinyl)-, 7,9,9-trimethyl-8oxo-1,4-dioxaspiro[4.5]dec-7-yl ester, (±)-

{2,4-D}

IV.A-3, X-2, XXI-3

63.

32833-96-8

0

1

0

Acetic acid, (dimethylamino)oxo-

64.

108-05-4

1

0

0

Acetic acid, ethenyl ester

{vinyl acetate}

H3C-COO-CH=CH2

V-3

65.

141-78-6

1

1

1

Acetic acid, ethyl ester

{ethyl acetate}

H3C-COO-C2H5

V-3

66.

123617-80-1

1

0

0

Acetic acid, 2-furanyl-

V-3, X-2
(H3C)2=N-CO-COOH

IV.A-3, V-3

IV.A-3, X-2
O

CH2-COOH

67.

112-06-1

0

1

0

Acetic acid, heptyl ester

H3C-COO-(CH2)6-CH3

V-3

68.

629-70-9

0

1

0

Acetic acid, 1-hexadecyl ester

H3C-COO-(CH2)15-CH3

V-3

69.

142-92-7

0

1

0

Acetic acid, hexyl ester

H3C-COO-(CH2)5-CH3

V-3

70.

79-14-1

1

1

1

Acetic acid, hydroxy-

71.

623-50-7

1

0

0

Acetic acid, hydroxy-, ethyl ester

72.

61892-60-2

1

1

1

73.

96-35-5

1

0

0

74.

90357-58-7

1

1

1

1

0

0

75.

{hexyl acetate}
{glycolic acid}

HOCH2-COOH

II.A-5, IV.A-3

HOCH2-COO-C2H5

II.A-5, V-3

Acetic acid, hydroxy-, 2-hydroxypropyl ester

HOCH2-COO-CH2-CHOH-CH3

II.A-5, V-3

Acetic acid, hydroxy-, methyl ester

HOCH2-COO-CH3

II.A-5, V-3

Acetic acid, hydroxy-, propyl ester

HOCH2-COO-C3H7

II.A-5, V-3

Acetic acid, hydroxymethyl ester

H3C-COO-CH2OH

II.A-5, V-3

76.

627-69-0

1

0

0

Acetic acid, 2-hydroxypropyl ester

H3C-COO-CH2-CHOH-CH3

II.A-5, V-3

77.

625-45-6

0

1

0

Acetic acid, methoxy-

H3CO-CH2-COOH

IV.A-3, X-2

78.

79-20-9

1

1

1

Acetic acid, methyl ester

H3C-COO-CH3

V-3

0

1

0

Acetic acid, 2-methylbutyl ester

H3C-COO-CH2-CH(CH3)-CH2-CH3

V-3

0

1

0

Acetic acid, 3-methylbutyl ester

H3C-COO-(CH2)2-CH=(CH3)2

V-3

79.
80.

123-92-2

81.

1191-16-8

0

1

0

Acetic acid, 3-methyl-2-butenyl ester

H3C-COO-CH2-CH=C=(CH3)2

V-3

82.

108-21-4

1

1

1

Acetic acid, 1-methylethyl ester

H3C-COO-CH=(CH3)2

V-3

83.

72360-04-4

1

0

0

Acetic acid, 2-(5-methylfuranyl)-

IV.A-3, X-2
H3C

O

CH2-COOH

84.

35897-16-6

0

1

0

Acetic acid, 2-methyl-3-pentyl ester

H3C-COO-CH(C2H5)-CH=(CH3)2

V-3

85.

110-19-0

0

1

0

Acetic acid, 2-methylpropyl ester {isobutyl acetate}

H3C-COO-CH2-CH=(CH3)2

V-3

86.

298-12-4

1

1

1

Acetic acid, oxo-

O=CH-COOH

{glyoxylic acid}

IV.A-3

6

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
87.

S

T

S
T

1

0

0

Acetic acid, 2-oxopropyl ester

H3C-COO-CH2-CO-CH3
H3C-COO-(CH2)4-CH3

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13, V-3

88.

628-63-7

0

1

0

Acetic acid, pentyl ester

89.

24851-98-7

0

1

0

Acetic acid, 2-pentyl-3-oxo-1-cyclopentyl-, methyl
ester
{methyl dihydrojasmonate}

V-3

90.

103-45-7

1

1

1

Acetic acid, 2-phenylethyl ester
{2-phenethyl acetate}

H3C-COO-(CH2)2-C6H5

V-3

91.

140-11-4

1

1

1

Acetic acid, phenylmethyl ester {benzyl acetate}

H3C-COO-CH2-C6H5

V-3

92.

122-72-5

0

1

0

Acetic acid, phenylpropyl ester

H3C-COO-(CH2)3-C6H5

V-3

93.

13147-57-4

0

1

0

Acetic acid, (phosphonoxy)-

94.

127-08-2

0

1

0

Acetic acid, potassium salt

95.

109-60-4

0

1

0

Acetic acid, propyl ester

96.

127-09-3

0

1

0

Acetic acid, sodium salt

97.

93-76-5

0

1

0

Acetic acid, 2,4,5-trichlorophenoxy-

V-3

IV.A-3
H3C-COO-K
{propyl acetate}

XX-6

H3C-COO-(CH2)2-CH3

V-3

H3C-COO-Na
{2,4,5-T®}

IV.A-3, X-2, XXI-3

Cl

Cl

XX-6

O-CH2COOH

Cl

98.

76-49-3

0

1

0

Acetic acid, endo-1,7,7trimethylbicyclo[2,2,1]heptan-2-yl ester
{bornyl acetate}

99.

75-05-8

1

0

0

Acetonitrile

H3C-CN

XI-2

100.

926-64-7

1

0

0

Acetonitrile, (dimethylamino)-

(H3C)2=N-CH2-CN

XI-2

101.

107-16-4

1

0

0

Acetonitrile, hydroxy-

HOCH2-CN

II.A-5, XI-2

102.

4471-47-0

1

0

0

Acetonitrile, oxo-

O=CH-CN

III-12. XI-2

0

1

0

Acetylserine sulfhydrylase

103.

V-3

XXII-2

104.

9040-07-7

0

1

0

Acetyltransferase, chloramphenicol

105.

260-94-6

1

0

0

Acridine

106.

92-81-9

1

0

0

Acridine, 9,10-dihydro-

XXII-2

{benzo[b]quinoline}

XVII.E-6
N

{acridan}

XVII.E-6
N
H

107.

6267-02-3

1

0

0

Acridine, 9,10-dihydro-9,9-dimethyl{9,9-dimethylacridan}

XVII.E-6

108.

26914-16-9

1

0

0

Acridine, 9,10-dihydro-9,9-dimethyl-(1-methylethyl)-

XVII.E-6

109.

63451-42-3

1

0

0

Acridine, 9,10-dihydro-9,9-dimethyl-2-(1methylethyl)-

XVII.E-6

110.

64828-44-0

1

0

0

Acridine, ethyl-

XVII.E-6

111.

54116-90-4

1

0

0

Acridine, methyl-

XVII.E-6

112.

64828-45-1

1

0

0

Acridine, propyl-

XVII.E-6

113.

7440-34-8

1

1

1

Actinium

Ac

XX-5

114.

20379-10-6,

0

1

0

Actinium, isotope of mass 226

226

XX-5

115.

14331-83-0

0

1

0

Actinium, isotope of mass 228

228

116.

50-76-0

0

1

0

Actinomycin D

117.

1

0

0

Acyl radical, methyl-

COCH3

XXVII-1

118.

1

0

0

Acyl radical, ethyl-

COCH2CH3

XXVII-1

Ac
Ac

XX-5
XXI-3

7

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
119.
120.

S

T

S
T

1

0

0

Acyl radical, propyl-

{2 isomers}

COCH2CH2CH3

XXVII-1

{3 isomers}

COCH2CH2CH2CH3

XXVII-1

Name (per CA Collective Index)

1

0

0

Acyl radical, butyl-

121.

141733-40-6

0

1

0

Acyltransferase, glycerol phosphate (Arabidopsis
thaliana clone BX3.6/BB2.6 reduced)

122.

58-61-7

0

1

0

Adenosine

Chapter
Table

Selected structures

XXII-2
NH2
N

N

N

II.A-5, VIII-3,
XVII.E-6

N

O
OH
HOCH2
OH

123.

60-92-4

0

1

0

Adenosine, cyclic 3',5'-(hydrogen phosphate)

II.A-5

124.

139636-55-8

0

1

0

Adenosine, 2'-deoxyadenylyl-(3'→5')-thymidylyl(3'→5')-2'-deoxyguanylyl-(3'→5')-2'-deoxyguanylyl(3'→5')-thymidylyl-(3'→5')-2'-deoxyguanylyl(3'→5')-thymidylyl-(3'→5')-thymidylyl-(3'→5')thymidylyl-(3'→5')-thymidylyl-(3'→5')-thymidylyl(3'→5')-2'-deoxyguanylyl-(3'→5')-2'-deoxyadenylyl(3'→5')-thymidylyl-(3'→5')-2'-deoxycytidylyl(3'→5')-thymidylyl-(3'→5')-2'-deoxyguanylyl(3'→5')-2'-deoxy-

XXII-2

125.

146689-29-4

0

1

0

Adenosine, 2'-deoxycytidylyl-(5'→3')-2'deoxycytidylyl-(5'→3')-2'-deoxyguanylyl-(5'→3')-2'deoxycytidylyl-(5'→3')-2'-deoxycytidylyl-(5'→3')-2'deoxyguanylyl-(5'→3')-2'-deoxy-

XXII-2

126.

28542-78-1

0

1

0

Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-

II.A-5, VIII-3, XVII.E-6

127.

6025-53-2

0

1

0

Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, (E)-

II.A-5, VIII-3, XVII.E-6

128.

15896-46-5

0

1

0

Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, (Z)-

II.A-5, VIII-3, XVII.E-6

129.

26190-61-4

0

1

0

Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2(methylthio)-

II.A-5, VIII-3, XVII.E-6

130.

53274-45-6

0

1

0

Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2(methylthio)-, (E)-

II.A-5, VIII-3, XVII.E-6

131.

52049-48-6

0

1

0

Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-2(methylthio)-, (Z)-

II.A-5, VIII-3, XVII.E-6

132.

22663-55-4

0

1

0

Adenosine, N-(4-hydroxy-3-methylbutyl)-

II.A-5, VIII-3, XVII.E-6

133.

7724-76-7

0

1

0

Adenosine, N-(3-methyl-2-butenyl)-

II.A-5, VIII-3, XVII.E-6

134.

75081-82-2

0

1

0

Adenosine, N-[3-methyl-4-[(O-phosphono-β-Dglucopyranosyl)oxy]-2-butenyl]-, (E)-

II.A-5, VIII-3, XVII.E-6

135.

4294-16-0

0

1

0

Adenosine, N-(phenylmethyl)-

II.A-5, VIII-3, XVII.E-6

136.

56-65-5

0

1

0

Adenosine 5'-(tetrahydrogen triphosphate)

II.A-5, VIII-3, XVII.E-6

137.

40922-97-2

0

1

0

Adenosine 5'-(tetrahydrogen triphosphate), N(phenylmethyl)-

II.A-5

138.

58-64-0

0

1

0

Adenosine 5'-(trihydrogen diphosphate)

II.A-5

139.

53-57-6

0

1

0

Adenosine 5'-(trihydrogen diphosphate), 2'(dihydrogen phosphate), P'→5'-ester with 1,4dihydro-1-β-D-ribofuranosyl-3pyridinecarboxamide

II.A-5, VIII-3, XVII.E-6

8

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

140.

53-59-8

0

1

0

Adenosine 5'-(trihydrogen diphosphate), 2'(dihydrogen phosphate), P'→5'-ester with 3(aminocarbonyl)-1-β-D-ribofuranosylpyridinium
hydroxide, inner salt

II.A-5, X-2, XII-2, XVII.B-2

141.

7298-93-3

0

1

0

Adenosine 5'-(trihydrogen diphosphate), 5'→5'-ester
with 3-(aminocarbonyl)-1-α-Dribofuranosylpyridinium hydroxide, inner salt

II.A-5, X-2, XII-2, XVII.B-2

142.

55030-93-8

0

1

0

Adenosine 5'-(trihydrogen diphosphate), N-(3methyl-2-butenyl)-

143.

22732-83-8

0

1

0

Adenosine 5'-(trihydrogen pyrophosphate), mono-Dglucopyranosyl ester

II.A-5, VIII-3, XVII.E-6

144.

40811-89-0

0

1

0

Adenosine 5'-(trihydrogen diphosphate), N(phenylmethyl)-

II.A-5, VIII-3, XVII.E-6

145.

58-68-4

0

1

0

Adenosine 5'-(trihydrogen diphosphate), P'→5'ester with 1,4-dihydro-1-β-D-ribofuranosyl-3pyridinecarboxamide

II.A-5, VIII-3, XVII.E-6

146.

53-84-9

0

1

0

Adenosine 5'-(trihydrogen diphosphate), P'→5'ester with 3-(aminocarbonyl)-1-β-Dribofuranosylpyridinium hydroxide, inner salt

II.A-5, VIII-3, XVII.E-6

147.

9012-52-6

0

1

0

Adenosyltransferase, methionine

148.

84-21-9

0

1

0

3'-Adenylic acid

149.

61-19-8

0

1

0

5'-Adenylic acid

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, V-3

XXII-2
II.A-5, X-2, XII-2
II.A-5, X-2,
XII-2

N
H2N

N

N

OH

N

OH
O

O

CH2O--P

OH

OH

150.

20268-93-3

0

1

0

5'-Adenylic acid, N-(3-methyl-2-butenyl)-

II.A-5, X-2, XII-2

151.

13484-66-7

0

1

0

5'-Adenylic acid, N-(phenylmethyl)-

II.A-5, X-2, XII-2

152.

9012-39-9

0

1

0

Adenylyltransferase, sulfate

153.

6898-94-8

1

1

1

Alanine

154.

62-57-7

0

1

0

Alanine, 2-methyl-

(CH3)2=C(NH2) COOH

155.

13100-82-8

0

1

0

Alanine, 3-sulfo-

HO-SO2-CH2-C(NH2) COOH IV.A-3, IV.B-7

156.

107-95-9

0

1

0

β-Alanine

H2N-(CH2)2-COOH

157.

79-83-4

0

1

0

158.

10478-42-9

1

1

1

159.

133201-38-4

1

0

0

β-Alanine, N-(nitrosomethyl)-

1

0

0

β-Alanine, N-methyl-N-nitroso-, methyl ester

H3C-N(NO)-(CH2)2-COOCH3
IV.A-3, IV.B-7, XV-8

160.

XXII-2
IV.A-3, IV.B-7

IV.A-3, IV.B-7
IV.A-3, IV.B-7

β-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1oxobutyl)-, (R)β-Alanine, N-methyl-N-nitroso- = Propanoic acid,
3-(methylnitrosamino){NMPA}

IV.A-3, IV.B-7

H3C-N(NO)-(CH2)2-COOH
IV.A-3, IV.B-7, XV-8
IV.A-3, IV.B-7, XV-8

161.

923-16-0

0

1

0

D-Alanine, N-D-alanyl-

H2N-(CH2)2-CO-NH-(CH2)2-COOH
IV.A-3, IV.B-7

162.

56-41-7

1

1

1

L-α-Alanine

H3C-CH(NH2)-COOH

IV.A-3, IV.B-7

9

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

163.

CAS No.

S

T

S
T

52756-25-9

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

DL-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-,
methyl ester
{Flamprop-methyl®}

Cl

XXI-3

O
C6H5

N

F

CH-CH3
H3C-OOC

164.

16124-24-6

0

1

0

L-Alanine, N-(1-deoxy-D-fructos-1-yl)-

165.

82560-54-1

0

1

0

β-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7benzofuranyl)oxy)carbonyl)methylamino)thio)-N(1-methylethyl)-, ethyl ester {Benfuracarb®}

II.A-5, IV.A-3
OOC-R
O

X-2, XVIII.B-3, XXI-3
R = -NH-S-N[CH(CH3)2]-(CH2)2-COOC2H5
166.

57646-30-7

0

1

0

DL-Alanine, N-(2,6-dimethylphenyl)-N-(2furanylcarbonyl-, methyl ester
{Furalaxyl®}

X-2, XXI-3

O
O
O

N

O

167.

57837-19-1

0

1

0

DL-Alanine, N-(2,6-dimethylphenyl)-N(methoxyacetyl)-, methyl ester
{Ridomil®}

X-2, XXI-3

O
H3 C
CH3

CH3

O

CH3

N
O
O
CH3

168.

71626-11-4

0

1

0

XXI-3

DL-Alanine, N-(2,6-dimethylphenyl)-N(phenylacetyl)-, methyl ester {Benalaxyl®}

O

N

O
O

169.

9006-50-2

0

1

0

Albumin

170.

9048-46-8

0

1

0

Albumins, blood serum

XXII-2

171.

9024-52-6

0

1

0

Aldolase, fructose diphosphate

XXII-2

172.

9026-94-2

0

1

0

Aldolase, phospho-2-keto-3-deoxyheptonate

XXII-2

173.

145137-43-5

0

1

0

Aldolase, phospho-2-keto-3-deoxyheptonate
(tobacco clone NtDAHPS-1 precursor reduced)

XXII-2

174.

1

0

0

Alkylaminocarbonyl radical, methyl-

175.

1

0

0

Alkylaminocarbonyl radical, ethyl-

CONHCH2CH3

XXVII-1

176.

1

0

0

Alkylaminocarbonyl radical, propyl- {2 isomers}

CONHCH2CH2CH3

XXVII-1

177.

1

0

0

Alkylaminocarbonyl radical, butyl-

CONHCH2CH2CH2CH3

XXVII-1

178.

1

0

0

Alkylaminocarbonyl radical, pentyl- {3 isomers}

CONHCH2CH2CH2CH2CH3

XXVII-1

179.

1

0

0

Alkylaminocarbonyl radical (unsaturated)

C5H8NO

XXVII-1

180.

1

0

0

Alkylaminocarbonyl radical (unsaturated)

C7H12NO

XXVII-1

0

1

0

D-Allose

181.

2595-97-3

XXII-2

CONHCH3

{2 isomers}

HO

O OH

XXVII-1

II.A-5, VIII-3

HO
OH

OH

182.

7429-90-5

1

1

1

Aluminum

Al

XX-5

183.

1344-28-1

0

1

0

Aluminum oxide

Al2O3

XX-6

184.

9031-85-0

0

1

0

Aminoacyltransferase

XXII-2

185.

9031-94-1

0

1

0

Aminopeptidase

XXII-2

10

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

9001-61-0

0

1

0

Aminopeptidase, cytosol

0

1

0

Aminopeptidase, leucine

XXII-2

188.

37277-82-0

0

1

0

Aminopropyltransferase, putrescine

XXII-2

189.

9031-66-7

0

1

0

Aminotransferase

XXII-2

190.

9000-86-6

0

1

0

Aminotransferase, alanine

XXII-2

191.

9000-97-9

0

1

0

Aminotransferase, aspartate

XXII-2

192.

50812-10-7

0

1

0

Aminotransferase, glutamate-glyoxylate

XXII-2

193.

9030-42-6

0

1

0

Aminotransferase, ornithine-keto acid

XXII-2

194.

37259-57-7

0

1

0

Aminotransferase, serine-glyoxylate

XXII-2

195.

7664-41-7

1

1

1

Ammonia

196.

9024-28-6

0

1

0

Ammonia-lyase, phenylalanine

197.

14798-03-9

1

1

1

Ammonium

198.

53516-76-0

0

1

0

Ammonium chloride, alkyldimethylbenzyl{Benazlkonium chloride®}

186.
187.

Name (per CA Collective Index)

Chapter
Table

Selected structures

XXII-2

NH3

XII-2
XXII-2

NH4+1

XX-6
XVIII.B-3, XX1-3

199.

1336-21-6

0

1

0

Ammonium hydroxide

NH4OH

XX-6

200.

12135-76-1

0

1

0

Ammonium sulfide

(NH4)2S

XVIII.A-1, XX-6

201.

9000-92-4

0

1

0

Amylase

XXII-2

202.

9000-90-2

0

1

0

Amylase, α-

XXII-2

203.

9000-91-3

0

1

0

Amylase, β-

XXII-2

204.

9067-73-6

0

1

0

Amylase, iso-

XXII-2

205.

9005-84-9

0

1

0

Amylodextrin

VIII-3

206.

9037-22-3

0

1

0

Amylopectin

VIII-3

207.

9005-82-7

0

1

0

Amylose

VIII-3

208.

32222-21-2

0

1

0

Androsta-3,5-dien-7-one

III-13

O

209.

0

1

0

Anhydrase, carbonate

210.

189-58-2

1

0

0

Anthra[9,1,2-cde]benzo[h]cinnoline

211.

610-49-1

1

0

0

1-Anthracenamine

XXII-2
XVII.E-6

9
1

7

5

779-03-3

1

0

0

9-Anthracenamine

213.

120-12-7

1

1

1

Anthracene

10

4

XII-2
8

9

I.E-6

1

7

2

6

3
5

214.

2
3

6

212.

XII-2

NH2
8

10

4

1

0

0

Anthracene, alkyl-

I.E-6

215.

613-31-0

1

0

0

Anthracene, 9,10-dihydro-

I.E-6

216.

29063-00-1

1

0

0

Anthracene, dimethyl-

I.E-6

11

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

217.

781-43-1

1

0

0

Anthracene, 9,10-dimethyl-

218.

41637-86-9

1

0

0

Anthracene, ethyl-

I.E-6

219.

605-83-4

1

0

0

Anthracene, 9-ethyl-

I.E-6

220.

71265-29-7

1

0

0

Anthracene, ethylmethyl-

I.E-6

221.

26914-18-1

1

0

0

Anthracene, methyl-

I.E-6

222.

610-48-0

1

0

0

Anthracene, 1-methyl-

I.E-6

223.

613-12-7

1

0

0

Anthracene, 2-methyl-

I.E-6

224.

779-02-2

1

0

0

Anthracene, 9-methyl-

I.E-6

225.

71265-30-0

1

0

0

Anthracene, propyl-

I.E-6

226.

27358-28-7

1

0

0

Anthracene, trimethyl-

0

1

0

1,4-Anthracenedione, 2,3-dimethyl-

227.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.E-6

I.E-6
IX.B-2

0
CH3

CH3
0

228.

84-65-1

1

1

1

9,10-Anthracenedione

{9,10-anthraquinone}

IX.B-2, XXI-3

O
1
2
2
4
O

229.

20724-30-5

1

0

0

9,10-Anthracenedione, 1,2-diethyl-

230.

71265-31-1

1

0

0

9,10-Anthracenedione, dimethyl-

IX.B-2

1

0

0

9,10-Anthracenedione, 2,3-dimethyl-

IX.B-2

231.

IX.B-2

232.

27936-34-1

1

0

0

9,10-Anthracenedione, methyl-

IX.B-2

233.

84-54-8

1

1

1

9,10-Anthracenedione, 2-methyl-

IX.B-2

1

0

0

9,10-Anthracenedione, trimethyl-

1

0

0

9(10H)-Anthracenone

234.
235.

90-44-8

IX.B-2
{anthrone}

III-13

O
1

8
9

7

2
3

6
5

10

4

236.

7440-36-0

1

1

1

Antimony

Sb

XX-5

237.

14683-10-4

1

1

1

Antimony, isotope of mass 124

124

XX-5

238.

14331-88-5

0

1

0

Antimony, isotope of mass 129

129

239.

9000-95-7

0

1

0

Apyrase

240.

11078-27-6

0

1

0

Arabinan

241.

20261-96-5

1

1

1

Arabinohexonic acid, 3-deoxy-, γ-lactone

II.A-5, VI-3, VIII-3

242.

42400-32-8

0

1

0

D-Arabinohexonic acid, 2-deoxy-, γ-lactone

II.A-5, VI-3, VIII-3

243.

23675-06-1

0

1

0

α-D-Arabinohexopyranoside, 2-deoxy-α-D-arabinohexopyranosyl 2-deoxy-

244.

154-17-6

0

1

0

D-Arabinohexose, 2-deoxy-

245.

16449-30-2

0

1

0

D-Arabinohexose, 2-deoxy-4-O-β-D-glucopyranosyl-

246.

13752-83-5

0

1

0

Arabinonic acid

Sb
Sb

XX-5
XXII-2
II.A-5, VIII-3

II.A-5, VIII-3
II.A-5, VIII-3, X-2
II.A-5, VIII-3
HO-CH2-(CHOH)3-COOH

II.A-5, IV.A-3

12

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

247.

CAS No.

S

T

S
T

13280-76-7

1

0

0

Name (per CA Collective Index)
Arabinonic acid, γ-lactone

HO

147-81-9

II.A-5, VI-3

OH

HOCH2

248.

Chapter
Table

Selected structures

O

O

1

1

1

Arabinose

HO-CH2-(CHOH)3-CH=O

II.A-5, III-12

249.

0

1

0

Arabitinol , 2,3-di-O-methyl-

HO-CH2-CHOH-(CHOCH3)2-CH=O
II.A-5, III-12, X-2

250.

0

1

0

Arabitinol , 2,5-di-O-methyl-

H3CO-CH2-(CHOH)2-(CHOCH3)-CH=O
II.A-5, III-12, X-2

251.

0

1

0

Arabitinol , 3,5-di-O-methyl-

H3CO-CH2-CHOH-(CHOCH3)-CHOH-CH=O
II.A-5, III-12, X-2

252.

0

1

0

Arabitinol , 2,3,4-tri-O-methyl-

HO-CH2-(CHOCH3)3-CH=O
II.A-5, III-12, X-2

253.

0

1

0

Arabitinol , 2,3,5-tri-O-methyl-

H3CO-CH2-CHOH-(CHOCH3)2-CH=O
II.A-5, III-12, X-2

254.

9040-27-1

0

1

0

Arabinoxylan

VIII-3

255.

7004-12-8

0

1

0

Arginine

256.

1069-09-6
34522-32-2

0

1

0

Arginine, N2-(1-carboxyethyl)-

257.

74-79-3

0

1

0

L-Arginine

H2N-C(=NH)-NH-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7

258.

7440-37-1

1

0

0

Argon

A

259.

7440-38-2

1

1

1

Arsenic

As

260.

15575-20-9

0

1

0

Arsenic, isotope of mass 76

76

261.

7778-44-1

0

1

0

Arsenic acid, calcium salt

Ca3(AsO4)2

XX-6, XXI-3

262.

7645-25-2

0

1

0

Arsenic acid, lead salt

Pb3(AsO4)2

XX-6, XXI-3

263.

7784-40-9

0

1

0

Arsenic acid, lead salt

PbHAsO4

XX-6, XXI-3

264.

1327-53-3

0

1

0

Arsenic oxide

265.

7784-42-1

1

0

0

Arsine

266.

603-32-7

1

0

0

Arsine, triphenyl-

267.

50-81-7

1

1

1

L-Ascorbic acid

H2N-C(=NH)-NH-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7
IV.A-3, IV.B-7

XX-5
XX-5, XXI-3

As

{arsenious oxide}

XX-5

As2O3

XX-6

H3As

XX-6

As(C6H5)3
{L-gulofuranolactone, 3-oxo-}

XX-6
II.A-5, VI-3

CH2OH
O

HO

O

OH

268.

7006-34-0

1

1

1

Asparagine

H2N-CO-CH2-CH(NH2)-COOH
IV.A-3, IV.B-7

269.

70-47-3

0

1

0

L-Asparagine

270.

5794-13-8

0

1

0

L-Asparagine monohydrate

IV.A-3, IV.B-7

271.

6899-03-2

1

1

1

Aspartic acid

IV.A-3, IV.B-7

272.

56-84-8

1

1

1

L-Aspartic acid

273.

2456-73-7

0

1

0

L-Aspartic acid, N-(1H-indol-3-ylacetyl)-

IV.A-3, IV.B-7

HOOC-CH2-CH(NH2)-COOH
IV.A-3, IV.B-7
IV.A-3, IV.B-7

13

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
274.

275.

271-63-6

S

T

S
T

1

0

0

Azaindene

1

0

0

7-Azaindole

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVII.E-6

N

XVII.E-6

H
N

N
7

6

1

2
5
3

4

276.

1

0

0

7-Azaindole, N-methyl-

277.

0

1

0

Azathymine

XVII.E-6
XIV-1, XVII.B-2

N
NH
O

O

N
H

278.

503-29-7

1

1

1

Azetidine

XVII.A-1

279.

34441-14-0

0

1

0

1-Azetidinebutanoic acid, α-[(3-amino-3carboxypropyl)amino]-2-carboxy-, [2S[1[αR*(R*)],2R*]]{nicotianamine}

IV.A-3

280.

2517-04-6

0

1

0

2-Azetidinecarboxylic acid

IV.A-3

281.

55556-98-4

0

1

0

2-Azetidinecarboxylic acid, 1-nitroso-

NH

COOH

ON

IV.A-3, XV-8

N

282.

275-51-4

283.

1

0

0

Azulene

1

0

0

Azulene, 1,4-dimethyl-7-ethyl-

284.

68038-71-1

0

1

0

Bacillus thuringiensis

285.

7440-39-3

1

1

1

Barium

286.

203-33-8

1

0

0

Benz[a]aceanthrylene

287.

202-33-5

1

0

0

Benz[j]aceanthrylene

I.E-6

{cyclopentacycloheptene}

I.E-6
{Dipel®}

XXI-3
Ba

XX-5
I.E-6

{benzo[a]fluoranthene}

{cholanthrylene}

I.E-6
e

f

g

j

i

h

d
c
b

a
2

288.

479-23-2

1

0

0

1

Benz[j]aceanthrylene, 1,2-dihydro- {cholanthrene}

I.E-6
e

f

g

j

i

h

d
c
b

a
2

289.

56-49-5

1

0

0

Benz[j]aceanthrylene, 1,2-dihydro-3-methyl{3-methylcholanthrene}

1

I.E-6
e

f

g

h

i

j

d
H3C

c
b

a
2

1

14

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

290.

76774-50-0

1

0

0

Benz[fg]acenaphthylene

I.E-6

291.

205-99-2

1

1

1

Benz[e]acephenanthrylene {benzo[b]fluoranthene}

I.E-6

292.

41637-94-9

1

0

0

Benz[e]acephenanthrylene, methyl-

I.E-6

293.

149021-93-2

1

0

0

Benz[e]acephenanthrylene, 10-methyl-

I.E-6

294.

225-11-6

1

0

0

Benz[a]acridine

1

0

0

Benz[a]acridine, 8,10-dimethyl-

1

0

0

Benz[c]acridine

295.
296.

225-51-4

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVII.E-6

XVII.E-6
7

8

XVII.E-6

6

9

5

10
N

11

4
1

3
2

297.

10567-95-0

1

0

0

Benz[c]acridine, 5,7-dimethyl-

XVII.E-6

298.

71265-19-5

1

0

0

Benz[c]acridine, 6,9-dimethyl-

XVII.E-6

299.

963-89-3

1

0

0

Benz[c]acridine, 7,9-dimethyl-

XVII.E-6

300.

2381-40-0

1

0

0

Benz[c]acridine, 7,10-dimethyl-

XVII.E-6

301.

32740-01-5

1

0

0

Benz[c]acridine, 7,11-dimethyl-

XVII.E-6

302.

3340-94-1

1

0

0

Benz[c]acridine, 7-methyl-

XVII.E-6

303.

14319-90-5

1

0

0

Benz[c]acridine, 8-methyl-

XVII.E-6

304.

33942-93-7

1

0

0

Benz[c]acridine, 9-methyl-

XVII.E-6

305.

7230-71-9

1

0

0

Benz[c]acridine, 10-methyl-

XVII.E-6

306.

67028-20-0

1

0

0

Benz[c]acridine, 11-methyl-

XVII.E-6

307.

58430-01-6

1

0

0

Benz[c]acridine, 7,9,10-trimethyl-

XVII.E-6

308.

51787-42-9

1

0

0

Benz[c]acridine, 7,9,11-trimethyl-

309.

100-52-7

1

1

1

Benzaldehyde

XVII.E-6
6

III-12

CH=O

5
4

2
3

310.

1620-98-0

0

1

0

Benzaldehyde, 3,5-di(1,1-dimethylethyl)-4-hydroxy-

311.

33774-71-9

1

1

1

Benzaldehyde, dihydroxy-

III-12, IX-22

III-12

312.

24677-78-9

1

1

1

Benzaldehyde, 2,3-dihydroxy-

III-12, IX-22

313.

95-01-2

1

0

0

Benzaldehyde, 2,4-dihydroxy-

III-12, IX-22

314.

1194-98-5

1

0

0

Benzaldehyde, 2,5-dihydroxy-

III-12, IX-22

315.

139-85-5

1

1

1

Benzaldehyde, 3,4-dihydroxy{protocatechualdehyde}

III-12, IX-22

316.

613-45-6

0

1

0

Benzaldehyde, 2,4-dimethoxy-

III-12, X-2

317.

4925-88-6

1

0

0

Benzaldehyde, 2,5-dimethoxy-4-methyl-

III-12, X-2

15

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

318.

3392-97-0

1

1

1

Benzaldehyde, 2,6-dimethoxy-

319.

120-14-9

1

1

1

Benzaldehyde, 3,4-dimethoxy-

{veratraldehyde}

III-12, X-2

320.

134-96-3

1

1

1

Benzaldehyde, 3,5-dimethoxy-4-hydroxy{syringaldehyde}

III-12, IX-22, X-2

321.

15764-16-6

1

0

0

Benzaldehyde, 2,4-dimethyl-

322.

5779-94-2

1

0

0

Benzaldehyde, 2,5-dimethyl-

323.

100-10-7

1

0

0

Benzaldehyde, 4-(dimethylamino)-

324.

121-32-4

1

1

1

Benzaldehyde, 3-ethoxy-4-hydroxy- {ethylvanillin}

325.

53951-50-1

0

1

0

Benzaldehyde, ethyl-

326.

4748-78-1

0

1

0

Benzaldehyde, 4-ethyl-

327.

90-02-8

1

1

1

Benzaldehyde, 2-hydroxy-

328.

148-53-8

0

1

0

Benzaldehyde, 2-hydroxy-3-methoxy-

III-12, IX-22

329.

100-83-4

0

1

0

Benzaldehyde, 3-hydroxy-

III-12, IX-22

330.

123-08-0

1

1

1

Benzaldehyde, 4-hydroxy-

III-12, IX-22

331.

106799-60-4

0

1

0

Benzaldehyde, hydroxymethoxy-

332.

121-33-5

1

1

1

Benzaldehyde, 4-hydroxy-3-methoxy-

333.

1

1

1

Benzaldehyde, 4-hydroxy-3-methoxy-, labeled with
14
C
{vanillin-14C}

334.

1

0

0

Benzaldehyde, hydroxy-methyl-

III-12, IX-22

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-12, X-2

III-12
III-12
III-12, XII-2
III-12, IX-22, X-2
III-12
III-12
{salicylaldehyde}

III-12, IX-22

III-12, IX-22, X-2
{vanillin}

III-12, IX-22, X-2
III-12, IX-22, X-2, XXV-29

335.

97122-27-5

1

0

0

Benzaldehyde, hydroxy-3-methyl-

III-12, IX-22

336.

57295-30-4

1

0

0

Benzaldehyde, 3-hydroxy-4-methyl-

III-12, IX-22

337.

15174-69-3

1

0

0

Benzaldehyde, 4-hydroxy-3-methyl-

III-12, IX-22

1

0

0

Benzaldehyde, methoxy-

339.

123-11-5

1

1

1

Benzaldehyde, 4-methoxy-

340.

1334-78-7

1

0

0

Benzaldehyde, methyl-

341.

529-20-4

1

1

1

342.

620-23-5

1

1

343.

104-87-0

1

1

344.

122-03-2

1

345.

29344-95-4

346.

55-21-0

347.

15310-01-7

0

338.

III-12
{p-anisaldehyde}

III-12, X-2

Benzaldehyde, 2-methyl-

{o-tolualdehyde}

III-12

1

Benzaldehyde, 3-methyl-

{m-tolualdehyde}

III-12

1

Benzaldehyde, 4-methyl-

{p-tolualdehyde}

III-12

1

1

Benzaldehyde, 4-(1-methylethyl)- {cuminaldehyde}

III-12

0

1

0

Benzaldehyde, 2,3,4,5-tetramethyl-

1

1

1

Benzamide

1

0

Benzamide, 2-iodo-N-phenyl-

III-12

III-12
C6H5-CO-NH2
{Benodanil®}

XIII-1
XIII-1, XXI-3

I

CO-NH-C6H5

348.

1

0

0

Benzanthracene

349.

63194-18-3

1

0

0

Benzanthracene, methyl-

350.

56-55-3

1

1

1

Benz[a]anthracene

I.E-6
I.E-6
{BaA or B[a]A}

I.E-6

2
1
11

12

8

7

3
4

10
9

351.
352.

43178-07-0

5
6

1

0

0

Benz[a]anthracene, alkyl-

I.E-6

1

0

0

Benz[a]anthracene, dimethyl-

I.E-6

16

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

353.

CAS No.

S

T

S
T

57-97-6

1

0

0

Benz[a]anthracene, 7,12-dimethyl-

0

0

0

Benz[a]anthracene, 9,10-dimethylThere can be no such compound as 7,12dimethyl-1,2-benzanthracene because, according
to the now obsolete nomenclature shown, there
was never a 12 position in the 1,2-benzanthracene
molecule. Also shown is 7,12dimethylbenz[a]anthracene named according to
the current nomenclature.

354.

Name (per CA Collective Index)

Chapter
Table

Selected structures
{DMBA}

I.E-6
2

2'
1'

CH3
8
9

6

10

1

11

1

7

CH3

3'
4'

2

10

3
a

4

12
b

3
4

5

7

9
8

5
6

CH3

c

CH3

I.E-6

355.

31632-62-9

1

0

0

Benz[a]anthracene, ethyl-

I.E-6

356.

71265-32-2

1

0

0

Benz[a]anthracene, ethylmethyl-

I.E-6

357.

43178-22-9

1

0

0

Benz[a]anthracene, methyl-

I.E-6

358.

2498-77-3

1

0

0

Benz[a]anthracene, 1-methyl-

I.E-6

359.

2498-76-2

1

0

0

Benz[a]anthracene, 2-methyl-

I.E-6

360.

2498-75-1

1

0

0

Benz[a]anthracene, 3-methyl-

I.E-6

361.

316-49-4

1

0

0

Benz[a]anthracene, 4-methyl-

I.E-6

362.

2319-96-2

1

0

0

Benz[a]anthracene, 5-methyl-

I.E-6

363.

316-14-3

1

0

0

Benz[a]anthracene, 6-methyl-

I.E-6

364.

2381-31-9

1

0

0

Benz[a]anthracene, 8-methyl-

I.E-6

365.

2381-16-0

1

0

0

Benz[a]anthracene, 9-methyl-

I.E-6

366.

2381-15-9

1

0

0

Benz[a]anthracene, 10-methyl-

I.E-6

367.

2422-79-9

1

0

0

Benz[a]anthracene, 12-methyl-

I.E-6

1

0

0

Benz[a]anthracene, methylene-

I.E-6

1

0

0

Benz[a]anthracene, propyl-

I.E-6

1

0

0

Benz[a]anthracene, tetramethyl-

I.E-6

368.
369.

71265-33-3

370.
371.

60826-78-0

1

0

0

Benz[a]anthracene, trimethyl-

372.

199-94-0

1

0

0

7H-Benz[de]anthracene

I.E-6
I.E-6

2
3

1
e

d

c

4
b

a

7

373.

374.

62-53-3

1

0

0

Benz[a]anthrone

1

1

1

Benzenamine

5

6

III-13

O

{aniline}

XII-2

NH2
6

2
3

5
4

375.

106-40-1

1

0

0

Benzenamine, 4-bromo-

XII-2, XVIII.B-3

376.

1861-40-1

0

1

0

Benzenamine, N-butyl-2,6-dinitro-N-ethyl-4(trifluoromethyl){Benefin®; Benfluralin®}

XII-2, XXI-3

NO2
(CH2)3-CH3
F3C

N
CH2-CH3
NO2

377.

95-51-2

1

0

0

Benzenamine, 2-chloro-

{2-chloroaniline}

XII-2, XVIII.B-3,
XXI-3

17

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

378.

106-47-8

1

0

0

Benzenamine, 4-chloro-

379.

46175-80-8

0

1

0

Benzenamine, 2-(cyclohexen-1-yl)-

380.

95-76-1

0

1

0

Benzenamine, 3,4-dichloro-

381.

99-30-9

0

1

0

Benzenamine, 2,6-dichloro-4-nitro- {Dicloran®)

382.

87-59-2

1

1

1

Benzenamine, 2,3-dimethyl-

{2,3-xylidine}

XII-2

383.

95-68-1

1

1

1

Benzenamine, 2,4-dimethyl-

{2,4-xylidine}

XII-2

384.

95-78-3

1

1

1

Benzenamine, 2,5-dimethyl-

{2,5-xylidine}

XII-2

385.

87-62-7

1

1

1

Benzenamine, 2,6-dimethyl-

{2,6-xylidine}

XII-2

386.

95-64-7

1

1

1

Benzenamine, 3,4-dimethyl-

{3,4-xylidine}

387.

40487-42-1

0

1

0

Benzenamine, 3,4-dimethyl-2,6-dinitro-N-(1ethylpropyl){Pendimethalin®}

Name (per CA Collective Index)

Chapter
Table

Selected structures

XII-2, XVIII.B-3
XII-2
XII-2, XVIII.B-3
XII-2, XVIII.B-3, XXI-3

XII-2
XII-2, XXI-3

HN-CH(C2H5)2
O2N

NO2

388.

108-69-0

1

1

1

Benzenamine, 3,5-dimethyl-

389.

611-21-2

1

0

0

Benzenamine, N,2-dimethyl-

{3,5-xylidine}

XII-2

390.

623-08-5

1

0

0

Benzenamine, N,4-dimethyl-

XII-2

391.

121-69-7

1

0

0

Benzenamine, N,N-dimethyl-

XII-2

392.

33629-47-9

0

1

0

Benzenamine, 4-(1,1-dimethylethyl)-2,6-dinitro-N(1-methylpropyl){Butralin®}

XII-2

NO2

(H3C)3C

NH-CH(CH3)-CH2CH3

NO2

XII-2, XXI-3
393.

33820-53-0

0

1

0

Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(1methylethyl){Isopropalin®}

XII-2, XXI-3

NO2
H3C

(CH2)2CH3
N
(CH2)2CH3

H3C
NO2

394.

1582-09-8

0

1

0

Benzenamine, 2,6-dinitro-N,N-dipropyl-4(trifluoromethyl){Trifluralin®}

XII-2, XXI-3

NO2
(CH2)2-CH3
F3C

N
(CH2)2-CH3
NO2

395.

0

1

0

Benzenamine, 4-ethenyl-

XII-2

396.

578-54-1

1

1

1

Benzenamine, 2-ethyl-

XII-2

397.

587-02-0

1

0

0

Benzenamine, 3-ethyl-

XII-2

398.

589-16-2

1

0

0

Benzenamine, 4-ethyl-

399.

103-69-5

1

0

0

Benzenamine, N-ethyl-

400.

1821-38-1

1

1

1

Benzenamine, 2-ethyl-N-methyl-

XII-2

401.

71265-20-8

1

0

0

Benzenamine, 3-ethyl-N-methyl-

XII-2

402.

37846-06-3

1

0

0

Benzenamine, 4-ethyl-N-methyl-

XII-2

403.

94-68-8

1

0

0

Benzenamine, N-ethyl-2-methyl-

XII-2

404.

102-27-2

0

1

0

Benzenamine, N-ethyl-3-methyl-

XII-2

405.

71265-27-5

1

0

0

Benzenamine, ar-ethyl-ar-methyl-

406.

90-04-0

1

1

1

Benzenamine, 2-methoxy-

{o-anisidine}

407.

536-90-3

1

1

1

Benzenamine, 3-methoxy-

{m-anisidine}

X-2, XII-2

408.

104-94-9

1

0

0

Benzenamine, 4-methoxy-

{p-anisidine}

X-2, XII-2

XII-2
{N-ethylaniline}

C6H5-NH-CH2-CH3

XII-2

XII-2
X-2, XII-2

18

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

26915-12-8

1

0

0

Benzenamine, ar-methyl-

410.

95-53-4

1

1

1

Benzenamine, 2-methyl- {o-toluidine; 2-toluidine}

XII-2

411.

108-44-1

1

0

0

Benzenamine, 3-methyl- {m-toluidine 3-toluidine}

XII-2

412.

106-49-0

1

0

0

Benzenamine, 4-methyl- {p-toluidine; 4-toluidine}

413.

100-61-8

1

0

0

Benzenamine, N-methyl-

414.

5266-85-3

409.

Name (per CA Collective Index)

Chapter
Table

Selected structures

XII-2

{N-methylaniline}

XII-2
C6H5-NH-CH3

XII-2

0

1

0

Benzenamine, 2-methyl-6-(1-methylethyl)-

415.

1

1

1

Benzenamine, N-methyl-N-nitroso-

XII-2

416.

1

0

0

Benzenamine, (1-methylethyl)-N-(1methylethylphenyl)-

XII-2

XII-2, XV-8

417.

5650-10-2

1

0

0

Benzenamine, 4-(1-methylethyl)-N-phenyl-

XII-2

418.

552-82-9

1

0

0

Benzenamine, N-methyl-N-phenyl-

XII-2

1

0

0

Benzenamine, N-nitroso-N-phenyl-

420.

122-39-4

1

0

0

Benzenamine, N-phenyl-

421.

13066-19-8

1

0

0

Benzenamine, 2-(2-phenylethenyl){2-aminostilbene}

XII-2

422.

14064-37-0

1

0

0

Benzenamine, 3-(2-phenylethenyl)-, (Z)-

XII-2

423.

834-24-2

1

0

0

Benzenamine, 4-(2-phenylethenyl)-

XII-2

424.

71265-28-6

1

0

0

Benzenamine, ar,ar,ar,ar-tetramethyl-

XII-2

425.

31093-11-5

1

0

0

Benzenamine, ar,ar,ar-trimethyl-

XII-2

426.

88-05-1

1

0

0

Benzenamine, 2,4,6-trimethyl-

427.

71-43-2

1

1

1

Benzene

419.

XII-2, XV-8

{diphenylamine}

C6H5-NH-C6H5

XII-2

{mesitylamine}

XII-2
I.D-1

1
2

6

3

5
4

428.

1

0

0

Benzene, C3-alkyl-

I.D-1

429.

1

0

0

Benzene, C4-alkyl-

I.D-1

430.

1

0

0

Benzene, C5-alkyl-

431.

103-33-3

0

1

0

Benzene, azobis-

I.D-1

432.

886-66-8

1

0

0

Benzene, 1,1'-(1,3-butadiyne-1,4-diyl)bis-

433.

824-90-8

1

0

0

434.

104-51-8

1

0

0

435.

108-90-7

1

0

436.

22349-74-2

1

0

437.

103-17-3

0

1

{azobenzene}

C6H5-N=N-C6H5

XVI-1

C6H5-C≡C-C≡C-C6H5

I.D-1

Benzene, 1-butenyl-

C6H5-CH=CH-(CH2)2-CH3

I.D-1

Benzene, butyl-

C6H5-(CH2)3-CH3

I.D-1

0

Benzene, chloro-

C6H5-Cl

0

Benzene, 1-chloro-4-(2-chloro-1-phenylethenyl)-

0

Benzene, 1-chloro-4-((4-chlorophenyl)methyl)thio){Chlorobenside®}

XVIII.B-3, XXI-3
XVIII.B-3
S

Cl

XVIII.B-3
XXI-3

Cl

438.

3424-82-6

1

0

0

Benzene, 1-chloro-2-[2,2-dichloro-1-(4chlorophenyl)ethenyl]-

439.

53-19-0

1

1

1

Benzene, 1-chloro-2-[2,2-dichloro-1-(4chlorophenyl)ethyl]{o,p’-DDD; o.p’-TDE}

XVIII.B-3
XVIII.B-3, XXI-3

CHCl 2
Cl

Cl

19

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

440.

4329-12-8

1

1

1

Benzene, 1-chloro-3-[2,2-dichloro-1-(4chlorophenyl)ethyl]{m,p’-DDD}

441.

789-02-6

1

1

1

Benzene, 1-chloro-2-[2,2,2-trichloro-1-(4chlorophenyl)ethyl]{o,p’-DDT}

Name (per CA Collective Index)

XVIII.B-3, XXI-3

4541-89-3

1

0

0

Benzene, 1,1'-(chloroethenylidene)bis-

443.

1022-22-6

1

1

1

Benzene, 1,1'-(chloroethenylidene)bis[4-chloro{DDM}

CCl3

XVIII.B-3
XVIII.B-3, XXI-3

Cl

Cl

444.

2642-80-0

1

1

1

XVIII.B-3, XXI-3

Cl

Cl

442.

Benzene, 1,1'-(2-chloroethylidene)bis[4-chloro{DDMS}

Cl

XVIII.B-3, XXI-3

Cl

Cl

Cl

445.

622-24-2

446.

0

1

0

Benzene, 2-chloroethyl-

0

1

0

Benzene, chloromethoxy-

Chapter
Table

Selected structures

C6H5-(CH2)2-Cl

XVIII.B-3

{chloroanisole}

X-2, XVIII.B-3

447.

25167-67-3

1

0

0

Benzene, chloromethyl-

448.

95-50-1

1

1

1

Benzene, 1,2-dichloro-

C6H5-CH2-Cl

XVIII.B-3

449.

541-73-1

1

0

0

Benzene, 1,3-dichloro-

XVIII.B-3

450.

106-46-7

1

0

0

Benzene, 1,4-dichloro-

XVIII.B-3

451.

72-55-9

1

1

1

Benzene, 1,1'-(dichloroethenylidene)bis[4-chloro{p,p’-DDE}

XVIII.B-3

Cl

Cl

XVIII.B-3, XXI-3

CCl2

452.

27013-25-8

1

0

0

Benzene, 1,1'-(2,2-dichloroethylidene)bis[chloro-

453.

72-54-8

1

1

1

Benzene, 1,1'-(2,2-dichloroethylidene)bis[4-chloro{p,p’-DDD, p,p’-TDE}

XVIII.B-3, XXI-3
Cl

XVIII.B-3

Cl

CHCl 2

454.

25340-17-4

1

1

1

Benzene, diethyl-

I.D-1

455.

105-05-5

1

0

0

Benzene, 1,4-diethyl-

I.D-1

456.

25550-13-4

1

0

0

Benzene, diethylmethyl-

I.D-1

457.

27598-81-8

1

0

0

Benzene, dimethoxy-

X-2

458.

91-16-7

1

1

1

Benzene, 1,2-dimethoxy-

1

0

0

Benzene, 1,2-dimethoxy-4-ethenyl-

X-2

459.

{veratrole}

X-2

460.

494-99-5

1

0

0

Benzene, 1,2-dimethoxy-4-methyl-

X-2

461.

151-10-0

0

1

0

Benzene, 1,3-dimethoxy-

X-2

462.

150-78-7

1

1

1

Benzene, 1,4-dimethoxy-

X-2

463.

14753-08-3

0

1

0

Benzene, 1,4-dimethoxy-2-methyl-5-(1-methylethyl)-

X-2

464.

1330-20-7

1

1

1

Benzene, dimethyl-

{xylene}

I.D-1

465.

95-47-6

1

1

1

Benzene, 1,2-dimethyl-

{o-xylene}

I.D-1

466.

108-38-3

1

1

1

Benzene, 1,3-dimethyl-

{m-xylene}

I.D-1

20

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

467.

106-42-3

1

1

1

Benzene, 1,4-dimethyl-

468.

2039-89-6

1

0

0

Benzene, 1,4-dimethyl-2-ethenyl-

I.D-1

469.

934-80-5

1

0

0

Benzene, 1,2-dimethyl-4-ethyl-

I.D-1

1

0

0

Benzene, 1,3-dimethyl-4-ethyl-

I.D-1

471.

1758-88-9

1

0

0

Benzene, 1,4-dimethyl-2-ethyl-

I.D-1

472.

3459-80-1

0

1

0

Benzene, [(1,1-dimethylethoxy)methyl]-

473.

98-06-6

1

1

1

Benzene, (1,1-dimethylethyl)-

1

0

0

Benzene, 3,5-bis(1,1-dimethylethyl)-1-methyl-

I.D-1

475.

644-30-4

0

1

0

Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-

I.D-1

476.

4176-17-4

0

1

0

Benzene, 1-(1,5-dimethyl-4-hexenyl)-4-methyl-, (R)-

I.D-1

477.

99-51-4

1

0

0

Benzene, 1,2-dimethyl-4-nitro-

XVI-1

478.

89-58-7

1

0

0

Benzene, 1,4-dimethyl-2-nitro{2,5-dimethyl-1-nitrobenzene}

XVI-1

479.

89-87-2

1

0

0

Benzene, 2,4-dimethyl-1-nitro-

XVI-1

480.

1007-26-7

0

1

0

Benzene, (2,2-dimethylpropyl)-

C6H5-CH2-C(CH3)3

I.D-1

481.

103-29-7

1

0

0

Benzene, 1,1'-(1,2-ethanediyl)bis-

{bibenzyl}

C6H5-CH2-CH2-C6H5

I.D-1

482.

588-59-0

1

1

1

Benzene, 1,1'-(1,2-ethenediyl)bis-

{stilbene}

C6H5-CH=CH-C6H5

I.D-1

483.

645-49-8

1

0

0

Benzene, 1,1'-(1,2-ethenediyl)bis-, (Z)-

I.D-1

484.

103-30-0

1

0

0

Benzene, 1,1'-(1,2-ethenediyl)bis-, (E)-

I.D-1

485.

5121-74-4

1

1

1

Benzene, 1,1'-(1,2-ethenediyl)bis[4-chloro{DCS = dichlorostilbene}

486.

1657-56-3

1

1

1

Benzene, 1,1'-(1,2-ethenediyl)bis[4-chloro-, (E){trans-DCS}

470.

474.

487.

2510-74-9

1

0

0

Name (per CA Collective Index)
{p-xylene}

I.D-1

X-2
C6H5-C(CH3)3

I.D-1

XVIII.B-3
XVIII.B-3
Cl
Cl

Benzene, 1,1'-(1,2-ethenediyl)bis[4-chloro-, (Z){cis-DCS}

XVIII.B-3, XXI-3

Cl

488.

Chapter
Table

Selected structures

1

1

1

Benzene, ethenyl-

489.

6380-23-0

1

1

1

Benzene, 4-ethenyl-1,2-dimethoxy-

X-2

490.

27576-03-0

1

0

0

Benzene, ethenyl-, dimethyl-

I.D-1

491.

28106-30-1

1

0

0

Benzene, ethenylethyl-

I.D-1

492.

71607-81-3

1

0

0

Benzene, ethenylethyldimethyl-

I.D-1

493.

27138-10-9

1

0

0

Benzene, ethenylethylmethyl-

I.D-1

494.

637-69-4

1

0

0

Benzene, 1-ethenyl-4-methoxy-

X-2

1

0

0

Benzene, ethenylmethyl-

I.D-1

495.

{styrene}

Cl

100-42-5

C6H5-CH=CH2

I.D-1

496.

611-15-4

1

0

0

Benzene, 1-ethenyl-2-methyl-

I.D-1

497.

100-80-1

1

0

0

Benzene, 1-ethenyl-3-methyl-

I.D-1

21

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

498.

622-97-9

1

0

0

Benzene, 1-ethenyl-4-methyl-

499.

71607-82-4

1

0

0

Benzene, ethenyltetramethyl-

I.D-1

500.

50976-21-1

1

0

0

Benzene, ethenyltrimethyl-

I.D-1

501.

103-73-1

1

0

0

Benzene, ethoxy-

502.

5076-72-2

1

0

0

Benzene, 1-ethoxy-4-methoxy

503.

100-41-4

1

1

1

Benzene, ethyl-

504.

874-41-9

1

0

0

Benzene, 1-ethyl-2,4-dimethyl-

505.

25550-14-5

1

0

0

Benzene, ethylmethyl-

I.D-1

506.

611-14-3

1

1

1

Benzene, 1-ethyl-2-methyl-

I.D-1

507.

620-14-4

1

1

1

Benzene, 1-ethyl-3-methyl-

I.D-1

508.

622-96-8

1

1

1

Benzene, 1-ethyl-4-methyl-

I.D-1

509.

18908-70-8

0

1

0

Benzene, 1-ethyl-2-(1-phenylethyl)-

I.D-1

510.

18640-62-5

1

0

0

Benzene, 1-ethyl-4-(2-propenyl)-

I.D-1

511.

536-74-3

1

0

0

Benzene, ethynyl-

I.D-1

1

0

0

Benzene, 1-(2-hepten-6-yl)-4-methyl-

513.

118-74-1

0

1

0

Benzene, hexachloro-

514.

1077-16-3

1

0

0

Benzene, hexyl-

515.

622-78-6

0

1

0

Benzene, (isothiocyanatomethyl)-

XVIII.A-1

516.

2257-09-2

0

1

0

Benzene, (2-isothiocyanatoethyl)-

XVIII.A-1

517.

100-66-3

1

1

1

Benzene, methoxy-

518.

21730-66-5

1

1

1

Benzene, methoxy-, 1-14C, labeled with 14C
{anisole-1-14C}

X-2

519.

26897-24-5

0

1

0

Benzene, methoxy-methyl- {2 isomers detected}

X-2

520.

538-86-3

0

1

0

Benzene, (methoxymethyl)- {benzyl methyl ether}

X-2

521.

578-58-5

1

0

0

Benzene, 1-methoxy-2-methyl- {o-methylanisole}

X-2

522.

100-84-5

1

0

0

Benzene, 1-methoxy-3-methyl- {m-methylanisole}

X-2

523.

104-93-8

1

1

1

Benzene, 1-methoxy-4-methyl- {p-methylanisole}

X-2

524.

3794-96-5

0

1

0

Benzene, 2-methoxy-1-methyl-4-(1-methylethenyl)-

X-2

525.

6379-73-3

0

1

0

Benzene, 2-methoxy-1-methyl-4-(1-methylethyl)-

X-2

526.

1076-56-8

0

1

0

Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)-

X-2

527.

104-46-1

1

1

1

Benzene, 1-methoxy-4-(1-propenyl)-

{anethole}

X-2

528.

140-67-0

1

0

0

Benzene, 1-methoxy-4-(2-propenyl)- {estragole}

X-2

529.

104-45-0

0

1

0

Benzene, 1-methoxy-4-propyl- {dihydroanethole}

X-2

530.

16277-67-1

0

1

0

Benzene, (3-methoxy-1-propenyl)-

X-2

531.

108-88-3

1

1

1

Benzene, methyl-

532.

101-81-5

1

0

0

Benzene, 1,1'-methylenebis- {diphenylmethane}

533.

101-76-8

1

0

0

Benzene, 1,1'-methylenebis[4-chloro-

512.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.D-1

C6H5-O-CH2-CH3

X-2
X-2

C6H5-CH2-CH3

I.D-1
I.D-1

{phenylacetylene}

I.D-1
XVIII.B-3, XXI-3
C6H5-(CH2)5-CH3

{anisole}

{toluene}

I.D-1

C6H5-O-CH3

X-2

C6H5-CH3

I.D-1

C6H5-CH2-C6H5

I.D-1
XVIII.B-3

Cl

Cl

534.

98-83-9

1

0

0

Benzene, (1-methylethenyl)- {α-methylstyrene}

C6H5-C(CH3)=CH2

I.D-1

535.

98-82-8

1

1

1

Benzene, (1-methylethyl)-

C6H5-CH=(CH3)2

I.D-1

{cumene}

22

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

Name (per CA Collective Index)

Chapter
Table

536.

1817-47-6

1

0

0

Benzene, 1-(1-methylethyl)-4-nitro- {4-nitrocumen}

537.

1124-20-5

1

0

0

Benzene, 1-methyl-3-(1-methylethenyl)-

I.D-1

538.

1195-32-0

1

0

0

Benzene, 1-methyl-4-(1-methylethenyl){p,α-dimethylstyrene}

I.D-1

539.

535-77-3

1

1

1

Benzene, 1-methyl-3-(1-methylethyl)- {m-cymene}

I.D-1

540.

99-87-6

1

1

1

Benzene, 1-methyl-4-(1-methylethyl)- {p-cymene}

I.D-1

541.

88-72-2

1

0

0

Benzene, 1-methyl-2-nitro-

XVI-1

542.

99-08-1

1

0

0

Benzene, 1-methyl-3-nitro-

XVI-1

543.

99-99-0

1

0

0

Benzene, 1-methyl-4-nitro-

XVI-1

544.

17271-70-4

1

0

0

Benzene, 1-methyl-3-(1-propenyl)-

I.D-1

545.

1074-43-7

1

0

0

Benzene, 1-methyl-3-propyl-

I.D-1

546.

1074-55-1

1

0

0

Benzene, 1-methyl-4-propyl-

547.

538-93-2

1

0

0

Benzene, (2-methylpropyl)-

548.

1139-49-7

1

0

0

Benzene, 1-methyl-3-(2,2,6-trimethylcyclohexyl){toluene, m-(2,2,6-trimethylcyclohexyl}

Selected structures

XVI-1

I.D-1
C6H5-CH2-CH(CH3)2
CH3

I.D-1
I.D-1

CH3

H3C
CH3

549.

16982-00-6

0

1

0

Benzene, 1-methyl-4-(1,2,2-trimethylcyclopentyl)-,
(R)-

550.

98-95-3

1

0

0

Benzene, nitro-

551.

15457-05-3

0

1

0

Benzene, 2-nitro-1-(4-nitrophenoxy)-4(trifluoromethyl){Fluorodifen®}

552.

82-68-8

0

1

0

Benzene, nitropentachloro-

1

0

0

Benzene, octyl-

553.

CH3

I.D-1

CH3

H3C

CH3

C6H5-NO2

XVI-1
XVI-1, XXI-3

{Quintocen®}

XVI-1
C6H5-(CH2)7-CH3

{diphenyl ether}

I.D-1

554.

101-84-8

0

1

0

Benzene, 1,1'-oxybis-

555.

103-50-4

1

0

0

Benzene, 1,1'-[oxybis(methylene)]bis{dibenzyl ether}

556.

55044-97-8

1

0

0

Benzene, 1,1'-[oxybis(methylene)]bis[4-ethyl-

557.

538-68-1

1

1

1

Benzene, pentyl-

C6H5-(CH2)4-CH3

I.D-1

558.

637-50-3

1

0

0

Benzene, 1-propenyl-

C6H5-CH=CH-CH3

I.D-1

559.

300-57-2

1

0

0

Benzene, 2-propenyl-

C6H5-CH2-CH=CH2

I.D-1

560.

103-65-1

1

1

1

Benzene, propyl-

C6H5-(CH2)2-CH3

I.D-1

561.

673-32-5

1

0

0

Benzene, 1-propynyl-

C6H5-C≡C-CH3

562.

938-22-7

0

1

0

Benzene, 1,2,3,5-tetrachloro-4-methoxy-

563.

25619-60-7

1

1

1

Benzene, tetramethyl-

I.D-1

564.

488-23-3

1

0

0

Benzene, 1,2,3,4-tetramethyl-

I.D-1

565.

527-53-7

1

0

0

Benzene, 1,2,3,5-tetramethyl-

I.D-1

566.

95-93-2

1

0

0

Benzene, 1,2,4,5-tetramethyl-

I.D-1

567.

116-29-0

0

1

0

Benzene, 1,2,4-trichloro-5-((4chlorophenyl)sulfonyl)-

XVIII.B-3, XXI-3

{allyl benzene}

C6H5-O-C6H5

X-2

C6H5-CH2-O-CH2-C6H5

X-2
X-2

I.D-1
X-2, XVIII.B-3

{Tetradifon®}

23

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

568.

CAS No.

S

T

S
T

50-29-3

1

1

1

Name (per CA Collective Index)

Chapter
Table

Selected structures

Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[4chloro{p,p’-DDT}

XVIII.B-3, XXI-3

CCl3

Cl

Cl

569.

87-40-1

0

1

0

Benzene, 1,3,5-trichloro-2-methoxy-

570.

634-36-6

1

1

1

Benzene, 1,2,3-trimethoxy-

X-2, XVIII.B-3

571.

1

0

0

Benzene, 1,2,4-trimethoxy-

X-2

572.

1

0

0

Benzene, 1,3,5-trimethoxy-

X-2

X-2

573.

487-11-6

0

1

0

Benzene, 1,2,3-trimethoxy-5-(2-propenyl)-

X-2

574.

2883-98-9

0

1

0

Benzene, 1,2,4-trimethoxy-5-(2-propenyl)-, (Z)-

X-2

575.

5273-86-9

0

1

0

Benzene, 1,2,4-trimethoxy-5-(2-propenyl)-, (E)-

X-2

576.

25551-13-7

1

1

1

Benzene, trimethyl-

I.D-1

577.

526-73-8

1

1

1

Benzene, 1,2,3-trimethyl-

I.D-1

578.

95-63-6

1

1

1

Benzene, 1,2,4-trimethyl-

{pseudocumene}

I.D-1

579.

108-67-8

1

1

1

Benzene, 1,3,5-trimethyl-

{mesitylene}

I.D-1

580.

122-78-1

1

1

1

Benzeneacetaldehyde

581.

4411-89-6

1

1

1

Benzeneacetaldehyde, α-ethylidene{2-phenyl-2-butenal}

582.

57568-60-2

0

1

0

Benzeneacetaldehyde, α-(2-furanylmethylene)-

III-12, X-2

583.

5031-83-4

0

1

0

Benzeneacetaldehyde, α-(2-phenylethylidene)-

III-12

0

1

0

Benzeneacetaldehyde, 4-methyl-

585.

103-81-1

1

1

1

Benzeneacetamide

586.

4695-13-0

0

1

0

Benzeneacetamide, α-phenyl-

587.

957-51-7

1

1

1

584.

{phenylacetaldehyde}

{phenylacetamide}

III-12

CH2-CH=O

III-12

III-12
C6H5-CH2-CO-NH2

XIII-1

(C6H5)2=CH-CO-NH2

XIII-1
XIII-1, XXI-3

Benzeneacetamide, N,N-dimethyl-α-phenyl{diphenamid; Enide®}

CH3
N
CH3
O

588.

954-21-2

1

1

1

XIII-1, XXI-3

Benzeneacetamide, N-methyl-α-phenyl{desmethyl diphenamid}

CH3
N-H

O

589.

103-82-2

590.

1

1

1

Benzeneacetic acid

{phenylacetic acid}

1

1

1

Benzeneacetic acid, labeled with 14C
{phenylacetic acid-14C}

591.

122-43-0

0

1

0

Benzeneacetic acid, butyl ester

592.

17119-15-2

1

0

0

Benzeneacetic acid, α,3-dihydroxy-

593.

1198-84-1

1

0

0

Benzeneacetic acid, α,4-dihydroxy-

IV.A-3, XXI-3

CH2-COOH

IV.A-3, XXV-29
C6H5-CH2-COO-(CH2)3-CH3
HO

CH2OH-COOH

V-3
II.A-5, IV.A-3,
IX.A-22

II.A-5, IV.A-3, IX.A-22

24

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
594.

S

T

S
T

1

0

0

Benzeneacetic acid, α,?-dihydroxy-ethylBenzeneacetic acid, α-ethylidene-, (E)-

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, IV.A-3, IX.A-22

595.

20432-26-2

0

1

0

596.

90-64-2

0

1

0

IV.A-3

Benzeneacetic acid, α-hydroxy-

{mandelic acid}

597.

492-37-5

1

0

0

Benzeneacetic acid, α-methyl-

{hydratropic acid}

598.

19988-45-5

1

0

0

Benzeneacetic acid, 2,3-dihydroxy-

IV.A-3, IX.A-22

599.

451-13-8

1

0

0

Benzeneacetic acid, 2,5-dihydroxy-

IV.A-3, IX.A-22

600.

102-32-9

1

1

1

Benzeneacetic acid, 3,4-dihydroxy-

IV.A-3, IX.A-22

601.

4670-09-1

1

0

0

Benzeneacetic acid, 3,5-dihydroxy-

IV.A-3, IX.A-22

602.

96937-42-7

1

0

0

Benzeneacetic acid, ar,ar-dihydroxy-ar,ar-dimethyl-

IV.A-3, IX.A-22

603.

96937-37-0

1

0

0

Benzeneacetic acid, ar,α-dihydroxy-ar-ethyl-

IV.A-3, IX.A-22

604.

96937-48-3

1

0

0

Benzeneacetic acid, ar,ar-dihydroxy-ar-methyl-

IV.A-3, IX.A-22

605.

96937-41-6

1

0

0

Benzeneacetic acid, 3,4-dihydroxy-ar-methyl-

IV.A-3, IX.A-22

606.

614-75-5

1

1

1

Benzeneacetic acid, 2-hydroxy-

IV.A-3, IX.A-22

607.

621-37-4

1

1

1

Benzeneacetic acid, 3-hydroxy-

IV.A-3, IX.A-22

608.

51630-58-1

0

1

0

Benzeneacetic acid, 4-chloro- α-(1-methylethyl)-,
cyano(3-phenoxyphenyl)methyl ester
{Fenvalerate®}

II.A-5, IV.A-3
IV.A-3

O

COO-CH(CN)Cl

V-3, X-2, XI-2, XVIII.B-3, XXI-3
609.

70124-77-5

0

1

0

F

Benzeneacetic acid, 4-(difluoromethoxy)-α-(1methylethyl)-, cyano(3-phenoxyphenyl)methyl
ester

O

F

{Flucythrinate®}
CH3

O
O
CN

O

CH3

V-3, X-2, XI-2, XVIII.B-3, XXI-3
IV.A-3, IX.A-22

610.

156-38-7

1

1

1

Benzeneacetic acid, 4-hydroxy-

611.

306-08-1

1

0

0

Benzeneacetic acid, 4-hydroxy-3-methoxy{homovanillic acid}

IV.A-3, IX.A-22, X-2

612.

102-22-7

0

1

0

Benzeneacetic acid, 3,7-dimethyl-2,6-octadien-1-yl
ester
{geranyl phenylacetate}

V-3

613.

101-97-3

1

1

1

Benzeneacetic acid, ethyl ester
{ethyl phenylacetate}

C6H5-CH2-COO-CH2-CH3

V-3

614.

5421-17-0

0

1

0

Benzeneacetic acid, hexyl ester

C6H5-CH2-COO-(CH2)5-CH3

V-3

615.

101-41-7

1

1

1

Benzeneacetic acid, methyl ester
{methyl phenylacetate}

C6H5-CH2-COO-CH3

V-3

616.

102-19-2

1

1

1

Benzeneacetic acid, 3-methylbutyl ester

V-3

617.

101-94-0

0

1

0

Benzeneacetic acid, 4-methylphenyl ester
{p-tolyl phenylacetate}

V-3

618.

102-13-6

0

1

0

Benzeneacetic acid, 2-methylpropyl ester

619. 1

102-20-5

0

1

0

Benzeneacetic acid, 2-phenylethyl ester

C6H5-CH2-COO-(CH2)2-C6H5

V-3

620.

102-16-9

0

1

0

Benzeneacetic acid, phenylmethyl ester
{benzyl phenylacetate}

C6H5-CH2-COO-CH2-C6H5

V-3

V-3

25

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

621.

140-29-4

1

1

1

Benzeneacetonitrile

622.

14191-95-8

1

0

0

Benzeneacetonitrile, 4-hydroxy-

IX.A-22, XI-2

623.

21850-61-3

1

0

0

Benzeneacetonitrile, 4-hydroxy-α-methyl-

IX.A-22, XI-2

1

0

0

Benzeneacetonitrile, methyl-

XI-2

22364-68-7

1

0

0

Benzeneacetonitrile, 2-methyl-

XI-2

1

0

0

Benzeneacetonitrile, 4-methyl-

343-65-7

0

1

0

Benzenebutanoic acid, α,2-diamino-γ-oxo{kynurenine}

624.
625.
626.
627.

Name (per CA Collective Index)

Chapter
Table

Selected structures

{benzyl cyanide}

XI-2

CH2-CN

XI-2
O

III-13, IV.A-3, XII-2

NH2
COOH

NH2

628.

53392-07-7

1

0

0

Benzenebutanol, 4-methyl-

II.A-5

629.

71607-71-1

1

0

0

Benzenediamine, N-methyl-

XII-2

630.

95-54-5

1

0

0

1,2-Benzenediamine

631.

3171-45-7

1

0

0

1,2-Benzenediamine, 4,5-dimethyl-

XII-2

632.

25376-45-8

1

0

0

1,3-Benzenediamine, ar-methyl-

XII-2

1

0

0

1,4-Benzenediamine, N-methyl-

XII-2

634.

101-54-2

1

0

0

1,4-Benzenediamine, N-phenyl-

XII-2

635.

140-56-7

0

1

0

Benzenediazosulfonate, dimethylamino-, sodium
salt
{Fenaminosulf®}

636.

91-15-6

1

0

0

1,2-Benzenedicarbonitrile

637.

626-17-5

1

0

0

1,3-Benzenedicarbonitrile

638.

1897-45-6

0

1

0

1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro
{Chlorothalonil®}

633.

{o-phenylenediamine}

XII-2

XX-6, XXI-3
XI-2
XI-2
CN
Cl

Cl

Cl

XI-2, XVIII.B-3,
XXI-3

CN
Cl

639.

623-26-7

1

0

0

1,4-Benzenedicarbonitrile

XI-2

640.

88-99-3

1

1

0

1,2-Benzenedicarboxylic acid

{phthalic acid}

IV.A-3

641.

121-91-5

1

0

0

1,3-Benzenedicarboxylic acid

{isophthalic acid}

IV.A-3

642.

100-21-0

1

1

1

1,4-Benzenedicarboxylic acid

{terephthalic acid}

IV.A-3

643.

7299-89-0

1

0

0

1,2-Benzenedicarboxylic acid, bis(2-ethylbutyl) ester

V-3

644.

117-81-7

1

1

1

1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl)
ester

V-3

645.

131-20-4
27554-26-3

1

1

1

1,2-Benzenedicarboxylic acid, bis(6-methylheptyl)
ester
{diisooctyl phthalate}

V-3

646.

84-69-5

0

1

0

1,2-Benzenedicarboxylic acid, bis(2-methylpropyl)
ester

V-3

647.

85-69-8

1

1

1

1,2-Benzenedicarboxylic acid, butyl, 2-ethylhexyl
ester

V-3

648.

0

1

0

1,2-Benzenedicarboxylic acid, butyl, 2-methylbutyl
ester

V-3

649.

0

1

0

1,2-Benzenedicarboxylic acid, butyl, 3-methylbutyl
ester

V-3

26

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
S

T

S
T

650.

0

1

0

1,2-Benzenedicarboxylic acid, butyl, phenylmethyl
ester

V-3

651.

1

0

0

1,2-Benzenedicarboxylic acid, dialkyl ester
{four isomers detected}

V-3

CAS No.

Name (per CA Collective Index)

Chapter
Table

Selected structures

652.

84-74-2

1

1

1

1,2-Benzenedicarboxylic acid, dibutyl ester
{dibutyl phthalate}

V-3

653.

84-66-2

1

1

1

1,2-Benzenedicarboxylic acid, diethyl ester
{diethyl phthalate}

V-3

654.

84-75-3

0

1

0

1,2-Benzenedicarboxylic acid, dihexyl ester

V-3

655.

131-11-3

1

1

1

1,2-Benzenedicarboxylic acid, dimethyl ester
{dimethyl phthalate}

V-3

656.

117-84-0

1

1

1

1,2-Benzenedicarboxylic acid, dioctyl ester

V-3

657.

131-16-8

1

1

1

1,2-Benzenedicarboxylic acid, dipropyl ester

V-3

658.

1861-32-1

0

1

0

1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-,
dimethyl ester
{DCPA®}

659.

1

0

0

Benzenediol, C2-alkyl-

IX.A-22

660.

1

0

0

Benzenediol, C3-alkyl-

IX.A-22

V-3, XXI-3

661.

71630-70-1

1

0

0

Benzenediol, ethyl-nitro-

662.

80934-44-7

1

0

0

Benzenediol, methyl-

1

0

0

Benzenediol, methyl-nitro-

IX.A-22, XVI-1
IX.A-22, XVI-1

663.

IX.A-22, XVI-1
IX.A-22

664.

62726-14-1

1

0

0

Benzenediol, nitro{at least 4 isomers were detected}

665.

120-80-9

1

1

1

1,2-Benzenediol

{catechol; pyrocatechol}

IX.A-22

OH
OH
6
5

3
4

666.

69845-49-4

1

0

0

1,2-Benzenediol, dimethyl-

IX.A-22

667.

2785-75-3

1

0

0

1,2-Benzenediol, 3,5-dimethyl-

IX.A-22

668.

2785-78-6

1

0

0

1,2-Benzenediol, 3,6-dimethyl-

IX.A-22

669.

98-29-3

1

0

0

1,2-Benzenediol, 4-(1,1-dimethylethyl)-

IX.A-22

1

0

0

1,2-Benzenediol, 3-ethenyl-

IX.A-22
IX.A-22

670.
671.

6053-02-7

1

0

0

1,2-Benzenediol, 4-ethenyl-

672.

28930-20-3

1

0

0

1,2-Benzenediol, ethyl-

IX.A-22

673.

933-99-3

1

0

0

1,2-Benzenediol, 3-ethyl-

IX.A-22

674.

1124-39-6

1

0

0

1,2-Benzenediol, 4-ethyl-

675.

71608-02-1

1

0

0

1,2-Benzenediol, 5-ethyl-3-nitro-

676.

934-00-9

1

0

0

1,2-Benzenediol, 3-methoxy-

677.

28930-19-0

1

0

0

1,2-Benzenediol, methyl-

IX.A-22

678.

488-17-5

1

0

0

1,2-Benzenediol, 3-methyl-

IX.A-22

679.

452-86-8

1

0

0

1,2-Benzenediol, 4-methyl-

IX.A-22

680.

2138-48-9

1

0

0

1,2-Benzenediol, 3-(1-methylethyl)-

IX.A-22

681.

2138-43-4

1

0

0

1,2-Benzenediol, 4-(1-methylethyl)-

682.

102-29-4

1

0

0

1,2-Benzenediol, monoacetate

683.

6665-98-1

1

0

0

1,2-Benzenediol, 3-nitro-

IX.A-22
IX.A-22, XVI-1
IX-22, X-2

IX.A-22
V-3, IX.A-22
IX.A-22, XVI-1

27

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3316-09-4

1

0

0

1,2-Benzenediol, 4-nitro-

685.

1126-61-0

1

1

1

1,2-Benzenediol, 4-(2-propenyl)-

IX.A-22

686.

29031-84-3

1

0

0

1,2-Benzenediol, propyl-

IX.A-22

687.

2896-63-1

1

0

0

1,2-Benzenediol, 3-propyl-

IX.A-22

688.

2525-02-2

1

0

0

1,2-Benzenediol, 4-propyl-

IX.A-22

689.

108-46-3

1

1

1

1,3-Benzenediol

684.

Name (per CA Collective Index)

Chapter
Table

Selected structures

IX.A-22, XVI-1

{resorcinol}

IX.A-22

OH

2

6
5

OH

4

690.

25377-27-9

691.
692.

67965-47-3

693.
694.

2896-60-8

695.

1

0

0

1,3-Benzenediol, dimethyl-

IX.A-22

1

0

0

1,3-Benzenediol, 2,5-dimethyl-

IX.A-22

1

0

0

1,3-Benzenediol, ethenyl-

IX.A-22

1

0

0

1,3-Benzenediol, ethyl-

IX.A-22

1

0

0

1,3-Benzenediol, 4-ethyl-

IX.A-22

1

0

0

1,3-Benzenediol, methyl-

IX.A-22

696.

608-25-3

1

0

0

1,3-Benzenediol, 2-methyl-

697.

504-15-4

1

0

0

1,3-Benzenediol, 5-methyl-

1

0

0

1,3-Benzenediol, (1-methylethyl)-

71608-03-2

1

0

0

1,3-Benzenediol, 4-methyl-6-nitro-

1

0

0

1,3-Benzenediol, monoacetate

701.

3163-07-3

1

0

0

1,3-Benzenediol, 4-nitro-

702.

68146-94-1

1

0

0

1,3-Benzenediol, propyl-

703.

123-31-9

1

1

1

1,4-Benzenediol

698.
699.
700.

IX.A-22
{orcinol}

IX.A-22
IX.A-22
IX.A-22, XVI-1
V-3, IX.A-22
IX.A-22, XVI-1
IX.A-22

{hydroquinone}

IX.A-22

OH

6

2

5

3

OH

704.

1

0

0

1,4-Benzenediol, dimethyl-

3233-32-7

1

0

0

1,4-Benzenediol, monoacetate

V-3, IX-22

1

0

0

1,4-Benzenediol, monopropanoate

V-3, IX-22

608-43-5

1

0

0

1,4-Benzenediol, 2,3-dimethyl-

708.

615-90-7

1

0

0

1,4-Benzenediol, 2,5-dimethyl-

IX.A-22

709.

2349-70-4

1

0

0

1,4-Benzenediol, 2-ethyl- = 1,4-Benzenediol,
ethyl-

IX.A-22

710.

72693-14-2

1

0

0

1,4-Benzenediol, 2-ethyl-6-methyl-

711.

3233-32-7

1

0

0

1,4-Benzenediol, monoacetate

V-3, IX-22

712.

824-46-4

1

1

1

1,4-Benzenediol, 2-methoxy-

IX-22, X-2

713.

95-71-6

1

1

1

1,4-Benzenediol, 2-methyl- = 1,4-Benzenediol,
methyl-

IX.A-22

714.

2349-71-5

0

1

0

1,4-Benzenediol, 2-(1-methylethyl)-

IX.A-22

715.

4693-31-6

1

0

0

1,4-Benzenediol, 2-propyl-

IX.A-22

716.

700-13-0

1

0

0

1,4-Benzenediol, 2,3,5-trimethyl-

IX.A-22

705.
706.
707.

IX.A-22

IX.A-22

IX.A-22

28

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

717.

64-04-0

1

1

1

Benzeneethanamine

718.

582-22-9

1

0

0

719.

589-08-2

1

1

1

720.

60-12-8

1

1

721.

5040-23-3

1

722.

7779-78-4

723.
724.

Name (per CA Collective Index)

Chapter
Table

Selected structures
C6H5-CH2-CH2-NH2

XII-2

Benzeneethanamine, β-methyl-

C6H5-CH(CH3)-CH2-NH2

XII-2

Benzeneethanamine, N-methyl-

C6H5-CH2-CH2-NH-CH3

XII-2

1

Benzeneethanol
{phenethyl alcohol}
Occasionally listed as 1321-27-3 Ethanol, phenyl-

C6H5-CH2CH2-OH

II.A-5

0

0

Benzeneethanol, α,4-dimethyl-

II.A-5

0

1

0

Benzeneethanol, α-(2-methylpropyl)-

II.A-5

13398-94-2

1

1

1

Benzeneethanol, 3-hydroxy-

II.A-5, IX.A-22

501-94-0

1

1

1

Benzeneethanol, 4-hydroxy-

II.A-5, IX.A-22

725.

2380-78-1

1

0

0

Benzeneethanol, 4-hydroxy-3-methoxy-

726.

699-02-5

0

1

0

Benzeneethanol, 4-methyl-

727.

100-46-9

1

1

1

Benzenemethanamine

728.

62924-70-3

0

1

0

Benzenemethanamine, 2-chloro-N-(2,6-dinitro-4(trifluoromethyl)phenyl)-N-ethyl-6-fluoro{Flumetralin®}

729.

100-51-6

1

1

1

Benzenemethanol

730.

1197-01-9

1

1

1

Benzenemethanol, α,α,4-trimethyl-

II.A-5, IX.A-22, X-2
II.A-5

{benzylamine}

{benzyl alcohol}

C6H5-CH2-NH2

XII-2

XII-2, XVI-1, XVIII.B-3, XXI-3

C6H5-CH2OH

II.A-5
II.A-5

{p,α,α-trimethylbenzyl alcohol}
731.

617-94-7

1

1

1

Benzenemethanol, α,α-dimethylBenzenemethanol, α,4-dimethyl-

C6H5-C(CH3)2OH

II.A-5

II.A-5

732.

536-50-5

0

1

0

733.

4393-06-0

0

1

0

Benzenemethanol, α-ethenyl-

C6H5-CH(CH=CH2)OH

II.A-5

734.

93-54-9

0

1

0

Benzenemethanol, α-ethyl- {1-phenyl-1-propanol}

C6H5-CH(C2H5)OH

II.A-5

735.

98-85-1

1

1

1

Benzenemethanol, α-methyl-

C6H5-CH(CH3)OH

II.A-5

736.

93-92-5

0

1

0

Benzenemethanol, α-methyl-, acetate

737.

13651-14-4

1

0

0

Benzenemethanol, 2,3-dimethyl-

738.

89-95-2

1

1

1

Benzenemethanol, 2-methyl-

739.

620-24-6

1

1

1

Benzenemethanol, 3-hydroxy-

740.

105-13-5

0

1

0

Benzenemethanol, 4-methoxy-

{anisyl alcohol}

II.A-5, X-2

741.

104-21-2

1

1

1

Benzenemethanol, 4-methoxy-, acetate
{anisyl acetate}

V-3, X-2

742.

122-91-8

0

1

0

Benzenemethanol, 4-methoxy-, formate

V-3, X-2

743.

102-17-0

0

1

0

Benzenemethanol, 4-methoxy-, phenylacetate

V-3, X-2

744.

7549-33-9

0

1

0

Benzenemethanol, 4-methoxy-, propanoate

V-3, X-2

745.

589-18-4

0

1

0

Benzenemethanol, 4-methyl-

II.A-5

746.

6282-37-7

1

0

0

Benzenemethanol, 4-methyl-α-propyl-

II.A-5

747.

1331-81-3

0

1

0

Benzenemethanol, ar-methoxy-

748.

27043-34-1

1

0

0

Benzenemethanol, methyl-

V-3
II.A-5
II.A-5
II.A-5, IX.A-22

749.

104-53-0

0

1

0

Benzenepropanal

750.

80638-48-8

1

0

0

Benzenepropanal, 4-hydroxy-3-methoxy-

751.

103-95-3

0

1

0

Benzenepropanal, α-methyl-4-(1-methylethyl){cyclamen aldehyde}

752.

102-93-2

1

1

1

Benzenepropanamide

II.A-5, X-2
II.A-5
C6H5-CH2CH2-CH=O

III-12
III-12, IX.A-22, X-2
III-12

C6H5-CH2CH2-CONH2

XIII-1

29

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

753.

121850-61-1

0

1

0

Benzenepropanamide, N-[3-[[4-[[3-(3,4dihydroxyphenyl)-1-oxo-2propenyl]amino]butyl]amino ]propyl]-3,4-dihydroxy-

754.

645-59-0

1

0

0

Benzenepropanenitrile

C6H5-CH2CH2-CN

755.

501-52-0

1

1

1

Benzenepropanoic acid
{3-phenylpropionic acid or hydrocinnamic acid}

C6H5-CH2CH2-COOH

756.

156-06-8

0

1

0

Benzenepropanoic acid, α-hydroxy{phenyllactic acid}

C6H5-CH2-CH2OH-COOH

757.

7326-19-4

0

1

0

Benzenepropanoic acid, α-hydroxy-, (R)-

758.

4593-90-2

1

0

0

Benzenepropanoic acid, β-methyl-

759.

156-06-9

0

1

0

Benzenepropanoic acid, α-oxo{phenylpyruvic acid}

760.

24696-05-7

0

1

0

Benzenepropanoic acid, 2-(β-D-glucopyranosyloxy)-

761.

1

0

0

Benzenepropanoic acid, dihydroxy-methoxy-

762.

1

1

1

Benzenepropanoic acid, 2-(methylnitrosamino)-

Name (per CA Collective Index)

Chapter
Table

Selected structures

IX.A-22, XIII-1

XI-2
IV.A-3
II.A-5, IV.A-3
II.A-5, IV.A-3
IV.A-3

C6H5-CH2-CO-COOH

IV.A-3
II.A-5, IV.A-3, X-2

IV.A-3, X-2, IX.A-22
IV.A-3, XV-8

763.

3714-73-6

1

0

0

Benzenepropanoic acid, 2,3-dihydroxy-

IV.A-3, IX.A-22

764.

96937-38-1

1

0

0

Benzenepropanoic acid, 2,3-dihydroxy-ar-methyl-

IV.A-3, IX.A-22

765.

10538-47-3

1

0

0

Benzenepropanoic acid, 2,5-dihydroxy-

IV.A-3, IX.A-22

766.

96937-34-7

1

0

0

Benzenepropanoic acid, 2,5-dihydroxy-ar-methyl-

IV.A-3, IX.A-22

767.

495-78-3

1

1

1

Benzenepropanoic acid, 2-hydroxy-

IV.A-3, IX.A-22

768.

1078-61-1

1

1

1

Benzenepropanoic acid, 3,4-dihydroxy{dihydrocaffeic acid}

IV.A-3, IX.A-22

769.

96961-47-6

1

0

0

Benzenepropanoic acid, 3,4-dihydroxy-2,5,6trimethyl-

IV.A-3, IX.A-22

770.

96937-33-6

1

0

0

Benzenepropanoic acid, 3,4-dihydroxy-ar-methyl-

IV.A-3, IX.A-22

771.

621-54-5

1

1

1

Benzenepropanoic acid, 3-hydroxy-

IV.A-3, IX.A-22

772.

501-97-3

1

1

1

Benzenepropanoic acid, 4-hydroxy-

IV.A-3, IX.A-22

773.

156-39-8

1

0

0

Benzenepropanoic acid, 4-hydroxy-α-oxo-

IV.A-3, IX.A-22

774.

5597-50-2

1

0

0

Benzenepropanoic acid, 4-hydroxy-, methyl ester

V-3, IX.A-22

775.

1135-23-5

1

0

0

Benzenepropanoic acid, 4-hydroxy-3-methoxy{hydroferulic acid}

IV.A-3, IX.A-22, X-2

776.

96937-36-9

1

0

0

Benzenepropanoic acid, ar,ar-dihydroxy-armethoxy-

IV.A-3, IX.A-22, X-2

777.

96937-35-8

1

0

0

Benzenepropanoic acid, ar,ar-dihydroxy-ar-methyl-

778.

122-97-4

1

1

1

Benzenepropanol

779.

1992-50-3

1

0

0

780.

2845-25-2

1

0

0

781.

10210-17-0

1

0

0

Benzenepropanol, 4-hydroxy-

782.

19044-88-3

0

1

0

Benzenesulfonamide, 4-(dipropylamino)-3,5-dinitro{Oryzalin®}

783.

108-98-5

1

0

0

Benzenethiol

784.

87-66-1

1

1

1

1,2,3-Benzenetriol

{3-phenyl-1-propanol}

IV.A-3, IX.A-22, X-2
C6H5-CH2-CH2-CH2OH

II.A-5

Benzenepropanol, α-ethyl-

C6H5-CH2-CH2-CH(C2H5)OH

II.A-5

Benzenepropanol, γ-ethyl-, (S)-

C6H5-CH(C2H5)-CH2-CH2OH

II.A-5

II.A-5, IX.A-22

{phenyl mercaptan}

XVI-1, XVIII.A-1, XXI-3
C6H5-SH

XVIII.A-1

{pyrogallol}

IX.A-22

30

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

785.

CAS No.

S

T

S
T

533-73-3

1

0

0

1,2,4-Benzenetriol

1

0

0

1,2,4-Benzenetriol, methyl-

51-17-2

1

0

0

1H-Benzimidazole

786.
787.

Name (per CA Collective Index)

Chapter
Table

Selected structures

{hydroxyhydroquinone}

IX.A-22
IX.A-22
XVII.E-6

N

N
H

788.

1

0

0

1H-Benzimidazole, C2-alkyl-

XVII.E-6

789.

5851-44-5

1

0

0

1H-Benzimidazole, 2-butyl-

XVII.E-6

790.

72692-74-1

1

0

0

1H-Benzimidazole, dimethyl-

XVII.E-6

791.

2876-08-6

1

0

0

1H-Benzimidazole, 1,2-dimethyl-

XVII.E-6

792.

72692-75-2

1

0

0

1H-Benzimidazole, ethyl-

XVII.E-6

793.

30304-58-6

1

0

0

1H-Benzimidazole, methyl-

XVII.E-6

794.

1632-83-3

1

0

0

1H-Benzimidazole, 1-methyl-

XVII.E-6

795.

615-15-6

1

0

0

1H-Benzimidazole, 2-methyl-

XVII.E-6

796.

946-18-9

1

0

0

1H-Benzimidazole, 2-(3-methylbutyl)-

XVII.E-6

797.

82326-40-7

1

0

0

1H-Benzimidazole, 2-(2-naphthalenylmethyl)-

798.

148-79-8

1

1

1

1H-Benzimidazole, 2-(4-thiazolyl){Thiabendazole®}

799.

3363-56-2

0

1

0

1H-Benzimidazole, 2,5,6-trimethyl-

800.

10605-21-7

0

1

0

1H-Benzimidazole-2-carbamic acid, methyl ester
{Carbendazim®}

XVII.E-6
N

XVIII.A-1

N

S

N
H

XVII.E-6
V-3, XXI-3

H
N
NH-COO-CH 3
N

801.

17804-35-2

0

1

0

1H-Benzimidazole-2-carbamic acid, 1(butylcarbamomyl)-, methyl ester {Benomyl®}

CO-NH-C4H9

V-3, XXI-3

N
NH-COO-CH3
N

802.

232-54-2

1

0

0

1H-Benz[e]indene

I.E-6

803.

1

0

0

1H-Benz[e]indene, dimethyl-

I.E-6

804.

1

0

0

1H-Benz[e]indene, ethylmethyl-

I.E-6

805.

64031-90-9

1

0

0

1H-Benz[e]indene, methyl-

I.E-6

806.

268-40-6

1

0

0

1H-Benz[f]indene

I.E-6

807.

60826-71-3

1

0

0

1H-Benz[f]indene, dimethyl-

I.E-6

808.

71265-34-4

1

0

0

1H-Benz[f]indene, ethylmethyl-

I.E-6

809.

60826-63-3

1

0

0

1H-Benz[f]indene, methyl-

810.

1

0

0

Benzocarbazole

811.

1

0

0

Benzocarbazole, dimethyl-

XVII.E-6

812.

1

0

0

Benzocarbazole, methyl-

XVII.E-6

1

0

0

11H-Benzo[a]carbazole

XVII.E-6

813.

239-01-0

I.E-6
XVII.E-6

N
H

31

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

814.

CAS No.

S

T

S
T

243-28-7

1

0

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

5H-Benzo[b]carbazole

XVII.E-6

N
H

815.

205-25-4

1

0

0

7H-Benzo[c]carbazole

XVII.E-6

N
H

816.

214-17-5

1

0

0

Benzo[b]chrysene

{dibenzo[b,h]phenanthrene}

I.E-6

817.

146506-80-1

1

0

0

Benzo[g]chrysene, methyl-

I.E-6

818.

7099-43-6

1

0

0

1H-Benzo[a]cyclopent[h]anthracene, 2,3-dihydro{5,6-cyclopentano-1,2-benzanthracene, 2,3dihydro-}

I.E-6

819.

7099-42-5

1

0

0

9H-Benzo[a]cyclopent[i]anthracene, 10,11-dihydro{6,7-cyclopentano-1,2-benzanthracene, 9,10dihydro-}

I.E-6

820.

3811-49-2

0

1

0

4H-1,3,2-Benzodioxaphosphorin-2-sulfide, 2methoxy{Salithion®}

X-2, XVIII.A-1,
XXI-3

S
O
P
OCH3
O

821.

51-03-6

0

1

0

1,3-Benzodioxole, 5-[[2-(2butoxyethoxy)ethoxy]methyl]-6-propyl{piperonyl butoxide}

O

O

O

O ]

[

(CH2)3-CH3

2

(CH2)2-CH3

X-2, XXI-3
822.

607-91-0

1

1

1

1,3-Benzodioxole, 4-methoxy-6-(2-propenyl){myristicin}

4

O
3

5
6

1

94-59-7

0

1

0

1,3-Benzodioxole, 5-(2-propenyl)-

824.

120-57-0

1

1

1

1,3-Benzodioxole-5-carboxaldehyde
{piperonal; heliotropin}

CH2

O

H2C=CH=CH2

823.

X-2

OCH3

7

{safrole}

X-2
4

3

O

III-12, X-2

CH=O

5

2

O
1

825.

1

0

0

Benzofluoranthene

I.E-6

826.

1

0

0

Benzofluoranthene, dimethyl-

I.E-6

827.

1

0

0

Benzofluoranthene, ethyl-

I.E-6

828.

1

0

0

Benzofluoranthene, methyl-

1

0

0

11H-Benzo[cd]fluoranthene

829.

56832-73-6

16135-81-2
42126-84-1

I.E-6
10

I.E-6

11
1

9
8

2
7
3

6
5

4

32

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

830.

CAS No.

S

T

S
T

203-12-3

1

0

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

Benzo[ghi]fluoranthene

e

I.E-6

f
g

d
c

i

h

b
a

831.

64760-14-1

1

0

0

Benzo[ghi]fluoranthene, dimethyl-

I.E-6

832.

71265-35-5

1

0

0

Benzo[ghi]fluoranthene, ethyl-

I.E-6

833.

51001-44-6

1

0

0

Benzo[ghi]fluoranthene, methyl-

I.E-6

834.

71265-21-9

1

0

0

Benzo[ghi]fluoranthene, 1-methyl-

I.E-6

835.

71265-22-0

1

0

0

Benzo[ghi]fluoranthene, 2-methyl-

I.E-6

836.

71265-23-1

1

0

0

Benzo[ghi]fluoranthene, 3-methyl-

I.E-6

837.

71265-24-2

1

0

0

Benzo[ghi]fluoranthene, 4-methyl{also known as 7-methylbenzo[ghi]fluoranthene}

I.E-6

838.

205-82-3

1

0

0

Benzo[j]fluoranthene

I.E-6

839.

60826-67-7

1

0

0

Benzo[j]fluoranthene, methyl-

I.E-6

840.

207-08-9

1

0

0

Benzo[k]fluoranthene

I.E-6

841.

41637-93-8

1

0

0

Benzo[k]fluoranthene, methyl-

I.E-6

1

0

0

Benzofluorene

I.E-6

842.
843.

1

0

0

Benzofluorene, alkyl-

I.E-6

844.

77271-50-2

1

0

0

Benzofluorene, dimethyl{at least three isomers in MSS}

I.E-6

845.

60918-47-0

1

0

0

Benzofluorene, methyl{at least four isomers in MSS}

I.E-6

846.

77271-51-3

1

0

0

Benzofluorene, tetramethyl{at least two isomers in MSS}

I.E-6

1

0

0

Benzofluorene, trimethyl-

I.E-6

847.
848.

30777-18-5

1

0

0

Benzo[a]fluorene

849.

238-79-9

1

0

0

5H-Benzo[a]fluorene

I.E-6
2

1

I.E-6

11

3

10
a

9

4
b

8

850.

238-84-6

1

0

0

5

6

7

11H-Benzo[a]fluorene

2

1

I.E-6

11

3

10
9

4
8
7

851.

1

0

0

11H-Benzo[a]fluorene, dimethyl-

6

5

I.E-6

852.

60826-64-4

1

0

0

11H-Benzo[a]fluorene, methyl-

I.E-6

853.

71265-25-3

1

0

0

11H-Benzo[a]fluorene, 11-methyl-

I.E-6

854.

71607-85-7

1

0

0

11H-Benzo[a]fluorene, trimethyl{at least three isomers in MSS}

I.E-6

855.

30777-19-6

1

0

0

5H-Benzo[b]fluorene

I.E-6

33

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

856.

CAS No.

S

T

S
T

243-17-4

1

0

0

Name (per CA Collective Index)
11H-Benzo[b]fluorene

I.E-6

11
1

10

2

a

9

b
8

3

6

7

4

5

857.

1

0

0

11H-Benzo[b]fluorene, methyl-

I.E-6

858.

1

0

0

11H-Benzo[b]fluorene, 9-methyl-

I.E-6

859.

1

0

0

Benzo[c]fluorene, methyl-

1

0

0

7H-Benzo[c]fluorene

860.

60826-65-5

Chapter
Table

Selected structures

205-12-9

I.E-6
I.E-6

7
8

6
a

9

5

b
c
10

11

4
1
3

2

861.

60826-66-6

862.

1

0

0

7H-Benzo[c]fluorene, methyl-

1

0

0

11H-Benzo[c]fluorene

I.E-6
I.E-6

7
8

6
a

9

5

b
c
10

11

4
1
2

863.

1

0

0

3

11H-Benzo[c]fluoren-11-one

III-13

O

864.

271-89-6

1

0

0

Benzofuran

{benzo[b]furan; coumarone}

X-2

7
O

6

2
5
3

4

865.

25586-39-4

1

0

0

Benzofuran, dimethyl-

X-2
{3 isomers detected}

866.

58924-34-8

1

0

0

Benzofuran, ethyl-

X-2

867.

71265-37-7

1

0

0

Benzofuran, ethyldimethyl-

X-2

868.

25586-38-3

1

0

0

Benzofuran, methyl-

X-2

869.

13054-97-2

1

0

0

Benzofuran, octahydro-

X-2

870.

71265-38-8

1

0

0

Benzofuran, pentamethyl-

X-2

871.

36618-49-2

1

0

0

Benzofuran, tetramethyl-

X-2

872.

36541-17-0

1

0

0

Benzofuran, trimethyl-

873.

496-16-2

1

1

1

Benzofuran, 2,3-dihydro-

874.

71265-36-6

1

0

0

Benzofuran, 2,3-dihydromethyl-

X-2

875.

1746-11-6

0

1

0

Benzofuran, 2,3-dihydro-2-methyl-

X-2

876.

3782-00-1

1

0

0

Benzofuran, 2,3-dimethyl-

X-2

877.

28715-26-6

1

0

0

Benzofuran, 2,3-dimethyl-

1

0

0

Benzofuran, 2,3,3a,4,5,7a-hexahydro-4,4,7atrimethyl-

{3 isomers detected}

878.

X-2
{coumaran}

X-2

X-2
X-2

4
3a

5

3
2

7a

6

O
7

879.

4265-25-2

880.
881.

17059-52-8

1

0

0

Benzofuran, 2-methyl-

X-2

1

0

0

Benzofuran, 3-ethyl-

X-2

1

0

0

Benzofuran, 5-methyl-

X-2

34

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

494-90-6

1

0

0

Benzofuran, 4,5,6,7-tetrahydro-3,6-dimethyl-

1

0

0

Benzofuran, 4-hydroxy-5,6-dimethyl-

IX.A-22, X-2

884.

60026-12-2

1

1

1

Benzofuran, 5-hydroxy-6,7-dimethyl-

IX.A-22, X-2

885.

35355-35-2

0

1

0

Benzofuran, 5-methoxy-6,7-dimethyl-

886.

16655-82-6

1

1

1

3,7-Benzofurandiol, 2,3-dihydro-2,2-dimethyl-, 7(methylcarbamate)
{3-Hydroxycarbofuran®}

882.
883.

Name (per CA Collective Index)

Chapter
Table

Selected structures

X-2

IX.A-22, X-2
II.A-5, V-3, X-2,
XXI-3

OOC-NH-CH3
O

CH3
CH3
OH

887.

1

0

0

1,3-Benzofurandione, 5-(1,1-dimethylheptyl)-

III-13, VII-1

888.

31297-30-0

1

0

0

2,3-Benzofurandione, 2,3-dihydro-4,7-dimethyl-

III-13, VI-3

889.

19355-58-9

0

1

0

2,6-Benzofurandione, 4,5,7,7a-tetrahydro-4,4,7atrimethyl-

III-13, VI-3
2

O

73051-72-6

891.

0

1

0

2-Benzofuranmethanol, 2,4,5,6,7,7a-hexahydro-6hydroxy-α,4,4,7a-tetramethyl-

0

1

0

6-Benzofuranol, 4,5,7,7a-tetrahydro-2-(1hydroxyethyl)-4,4,7a- trimethyl-

3

7a

6

890.

3a

4

5

O

1

O

7

II.A-5
H3C

II.A-5, X-2

CH3
OH

CH3

O

HO

CH3

892.

39815-67-3

0

1

0

6-Benzofuranol, octahydro-4,4,7a-trimethyl-

II.A-5, X-2
3a

4

5

3
2

7a

6

893.

894.

1563-66-2

26225-79-6

1

0

1

1

1

0

7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-,
methylcarbamate = Methylcarbamic acid, 2,3dihydro-2,2-dimethyl-7benzofuranyl ester
{Furadan®; Carbofuran®}

1

O

HO

7

X-2, XXI-3

OOC-NH-CH3
O

CH3
CH3

7-Benzofuranol, 2,3-dihydro-3,3-dimethyl-2-ethoxy-,
methanesulfonate
{Ethofumesate®}

O
O-C2H5

X-2, XVIII.A-1,
XXI-3

H3C-SO2-O

895.

13341-72-5

0

1

0

Benzofuranone, dimethyltetrahydro-

1

0

0

2(3H)-Benzofuranone

897.

61892-48-6

1

0

0

2(3H)-Benzofuranone, hexahydro-3a-hydroxy-

898.

16778-27-1

1

1

1

2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl{mariolide; dihydroactinidiolide}

896.

VI-3
VI-3
II.A-5, VI-3
5

VI-3

3

4

2
7a

6

O

1

O

7

899.

37531-06-9

0

1

0

2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-,
(Z)-

VI-3

900.

37531-07-0

0

1

0

2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-,
(E)-

VI-3

0

1

0

2(3H)-Benzofuranone, octahydro-4,4,7a-trimethyl{tetrahydroactinidiolide}

VI-3

901.

35

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

902.

CAS No.

S

T

S
T

19432-09-8

1

1

1

Name (per CA Collective Index)

Chapter
Table

Selected structures

2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-4,4,7atrimethyl-, cis-

VI-3
O
O

903.

75840-26-5

0

1

0

2(4H)-Benzofuranone, 5,6-dihydro-3,6-dimethyl-

VI-3

904.

17063-17-1

0

1

0

2(4H)-Benzofuranone, 5,7a-dihydro-4,4,7atrimethyl-, (R)-

VI-3

905.

82395-89-9

0

1

0

2(4H)-Benzofuranone, 6-(β-D-glucopyranosyloxy)5,6,7,7a-tetrahydro-4,4,7a-trimethyl-, (6S-Z)-

VI-3

906.

10481-90-0

0

1

0

2(4H)-Benzofuranone, 6-hydroxy-5,6,7,7atetrahydro-4,4,7a-trimethyl-, Z-(±){loliolide}

VI-3

907.

5989-02-6

1

1

1

2(4H)-Benzofuranone, 6-hydroxy-5,6,7,7atetrahydro-4,4,7a-trimethyl-, (6S-Z)-

VI-3

908.

38725-47-2

0

1

0

2(4H)-Benzofuranone, tetrahydro-4,4,7a-trimethyl-

VI-3

909.

15356-74-8

1

1

1

2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7atrimethyl-

VI-3

910.

17092-92-1

1

1

1

2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-4,4,7atrimethyl-, (R)-

VI-3

911.

124052-02-4

0

1

0

3(2H)-Benzofuranone, 2-(3,4-dihydroxyphenyl)2,4,6-trihydroxy-

912.

117769-21-8

0

1

0

5(4H)-Benzofuranone, 2,7a-dihydro-2-(1hydroxyethyl)-4,4-dimethyl-

913.

39815-70-8

0

1

0

6(2H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-

III-13, IX.A-22
III-13, VI-3, X-2
III-13, X-2
5

4

3
2

6

O

914.

70875-03-5

0

1

0

6(2H)-Benzofuranone, 4,5,7,7a-tetrahydro-2-(1hydroxyethyl)-4,4,7a-trimethyl-

7

O

II.A-5, III-13, X-2

3

4

5

2
6

O

915.

39815-73-1

0

1

0

916.

65-85-0

1

1

1

6(2H)-Benzofuranone, 4,5,7,7a-tetrahydro-4,4,7atrimethylBenzoic acid
{benzenecarboxylic acid}

O

7

OH

III-13, X-2
6

IV.A-3

COOH

5
4

2
3

917.

136-60-7

1

0

0

Benzoic acid, butyl ester

918.

96937-46-1

1

0

0

Benzoic acid, dihydroxy-dimethyl-

IV.A-3, IX.A-22

919.

96937-47-2

1

0

0

Benzoic acid, dihydroxy-ethyl-

IV.A-3, IX.A-22

920.

96937-44-9

1

0

0

Benzoic acid, dimethyl-hydroxy-

921.

93-89-0

1

0

0

Benzoic acid, ethyl ester

922.

96937-43-8

1

0

0

Benzoic acid, ethyl-hydroxy-

923.

6789-88-4

0

1

0

Benzoic acid, hexyl ester

924.

87323-67-9

1

0

0

Benzoic acid, hydroxy-methoxy-

925.

28965-86-8

1

0

0

Benzoic acid, hydroxy-methyl-

1

0

0

Benzoic acid, methyl-

926.

C6H5-COO-(CH2)3-CH3

V-3

IV.A-3, IX.A-22
{ethyl benzoate}

C6H5-COO-CH2-CH3

V-3
IV.A-3, IX.A-22

C6H5-COO-(CH2)5-CH3

V-3
IV.A-3, IX.A-22
IV.A-3, IX.A-22

{toluic acid}

927.

93-58-3

1

1

1

Benzoic acid, methyl ester

{methyl benzoate}

928.

2049-96-9

1

0

0

Benzoic acid, pentyl ester

{amyl benzoate}

929.

93-99-2

0

1

0

Benzoic acid, phenyl ester

IV.A-3
C6H5-COO-CH3

V-3

C6H5-COO-(CH2)4-CH3

V-3

C6H5-COO-C6H5

V-3

36

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

930.

120-51-4

1

1

1

Benzoic acid, phenylmethyl ester
{benzyl benzoate}

C6H5-COO-CH2-C6H5

931.

2315-68-6

1

1

1

Benzoic acid, propyl ester

C6H5-COO-(CH2)2-CH3

932.

532-32-1

0

1

0

Benzoic acid, sodium salt

933.

118-92-3

0

1

0

Benzoic acid, 2-amino-

934.

134-20-3

0

1

0

Benzoic acid, 2-amino-, methyl ester
{methyl anthranilate}

Name (per CA Collective Index)

Chapter
Table

Selected structures

V-3
V-3
XX-6
IV.A-3, XII-2
V-3

935.

612-19-1

1

0

0

Benzoic acid, 2-ethyl-

936.

10366-91-3

0

1

0

Benzoic acid, 2-(β-D-glucopyranosyloxy)-

II.A-5, IV.A-3

IV.A-3

937.

612-20-4

1

0

0

Benzoic acid, 2-(hydroxymethyl)-

II.A-5, IV.A-3

938.

85-91-6

0

1

0

Benzoic acid, 2-(methylamino)-, methyl ester

939.

69-72-7

1

1

1

Benzoic acid, 2-hydroxy-

{salicylic acid}

IV.A-3, IX.A-22

940.

118-61-6

0

1

0

Benzoic acid, 2-hydroxy-, ethyl ester
{ethyl salicylate}

V-3, IX.A-22

941.

6259-76-3

0

1

0

Benzoic acid, 2-hydroxy-, hexyl ester

V-3, IX.A-22

942.

119-36-8

1

1

1

Benzoic acid, 2-hydroxy-, methyl ester
{methyl salicylate}

V-3, IX.A-22

943.

87-20-7

0

1

0

Benzoic acid, 2-hydroxy-, 3-methylbutyl ester
{isoamyl salicylate}

V-3, IX.A-22

944.

87-19-4

0

1

0

Benzoic acid, 2-hydroxy-, 2-methylpropyl ester
{isobutyl salicylate}

V-3, IX.A-22

945.

118-55-8

0

1

0

Benzoic acid, 2-hydroxy-, 2-phenylethyl ester
{phenethyl salicylate}

V-3, IX.A-22

946.

118-58-1

0

1

0

Benzoic acid, 2-hydroxy-, phenylmethyl ester
{benzyl salicylate}

V-3, IX.A-22

947.

50-85-1

1

0

0

Benzoic acid, 2-hydroxy-4-methyl-

948.

579-75-9

0

1

0

Benzoic acid, 2-methoxy-

{o-anisic acid}

IV.A-3, X-2

949.

118-90-1

1

1

1

Benzoic acid, 2-methyl-

{o-toluic acid}

IV.A-3

950.

94-47-3

0

1

0

Benzoic acid, 2-phenylethyl ester
{2-phenylethyl benzoate}

V-3

951.

583-04-0

0

1

0

Benzoic acid, 2-propenyl ester

V-3

952.

303-38-8

1

1

1

Benzoic acid, 2,3-dihydroxy-

953.

3934-81-4

1

0

0

Benzoic acid, 2,3-dihydroxy-4-methoxy-

954.

3929-89-3

1

0

0

Benzoic acid, 2,3-dihydroxy-4-methyl-

955.

603-79-2

1

0

0

Benzoic acid, 2,3-dimethyl-

956.

610-02-6

1

0

0

Benzoic acid, 2,3,4-trihydroxy-

957.

89-86-1

1

0

0

Benzoic acid, 2,4-dihydroxy-

{β-resorcylic acid}

IV.A-3, IX.A-22

958.

490-79-9

1

1

1

Benzoic acid, 2,5-dihydroxy-

{gentisic acid}

IV.A-3, IX.A-22, XXI-3

959.

96937-49-4

1

0

0

Benzoic acid, 2,5-dihydroxy-methyl-

960.

610-72-0

1

0

0

Benzoic acid, 2,5-dimethyl-

961.

303-07-1

1

1

1

Benzoic acid, 2,6-dihydroxy-

962.

619-20-5

1

0

0

Benzoic acid, 3-ethyl-

963.

99-06-9

1

1

1

Benzoic acid, 3-hydroxy-

V-3

IV.A-3, IX.A-22

IV.A-3, IX.A-22
IV.A-3, IX.A-22, X-2
IV.A-3, IX.A-22
IV.A-3
IV.A-3, IX.A-22

IV.A-3, IX.A-22
IV.A-3
IV.A-3, IX.A-22
IV.A-3
IV.A-3, IX.A-22

37

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

964.

19438-10-9

1

0

0

Benzoic acid, 3-hydroxy-, methyl ester

965.

645-08-9

1

0

0

Benzoic acid, 3-hydroxy-4-methoxy{isovanillic acid}

966.

87513-63-1

0

1

0

Benzoic acid, 3-hydroxy-6-methoxy-, methyl ester

967.

586-30-1

1

1

1

Benzoic acid, 3-hydroxy-4-methyl-

968.

586-38-9

1

1

1

Benzoic acid, 3-methoxy-

969.

99-04-7

1

1

1

Benzoic acid, 3-methyl-

0

1

971.

99-50-3

1

1

972.

96937-39-2

1

973.

96937-40-5

1

975.

93-07-2

976.

619-04-5

977.
978.

Name (per CA Collective Index)

Chapter
Table

Selected structures

V-3, IX.A-22
IV.A-3, IX.A-22, X-2
V-3, IX.A-22, X-2
IV.A-3, IX.A-22
IV.A-3, X-2

{m-toluic acid}

IV.A-3

0

Benzoic acid, 3-methylbutyl ester

1

Benzoic acid, 3,4-dihydroxy- {protocatechuic acid}

IV.A-3

0

0

Benzoic acid, 3,4-dihydroxy-dimethyl-

IV.A-3, IX.A-22

0

0

Benzoic acid, 3,4-dihydroxy-methyl-

IV.A-3, IX.A-22

1

0

0

Benzoic acid, 3,4-dihydroxy-C4-alkyl-methyl-

IV.A-3, IX.A-22

0

1

0

Benzoic acid, 3,4-dimethoxy-

1

0

0

Benzoic acid, 3,4-dimethyl-

149-91-7

1

0

0

Benzoic acid, 3,4,5-trihydroxy-

{gallic acid}

IV.A-3, IX.A-22

121-79-9

1

0

0

Benzoic acid, 3,4,5-trihydroxy-, propyl ester
{propyl gallate}

V-3, IX.A-22

979.

99-10-5

1

0

0

Benzoic acid, 3,5-dihydroxy-

980.

499-06-9

0

1

0

Benzoic acid, 3,5-dimethyl-

981.

1918-00-9

0

1

0

Benzoic acid, 3,6-dichloro-2-methoxy-

970.

974.

V-3

IV.A-3, X-2
IV.A-3

IV.A-3, IX.A-22
IV.A-3
IV.A-3, X-2, XVIII.B-3, XXI-3
{Dicamba®}

982.

126-64-7

0

1

0

Benzoic acid, 3,7-dimethyl-1,6-octadien-6-yl ester
{linalyl benzoate}

983.

619-64-7

1

0

0

Benzoic acid, 4-ethyl-

984.

32142-31-7

0

1

0

Benzoic acid, 4-(β-D-glucopyranosyloxy)-3methoxy-

985.

99-96-7

1

1

1

Benzoic acid, 4-hydroxy-

986.

35285-68-9

0

1

0

Benzoic acid, 4-hydroxy-, ethyl ester, sodium salt

V-3
IV.A-3
II.A-5, IV.A-3, VIII-3, X-2

{p-salicylic acid}

IV.A-3, IX.A-22
V-3, XX-6
NaO

COO-C2H5

987.

99-76-3

1

0

0

Benzoic acid, 4-hydroxy-, methyl ester

V-3, IX.A-22

988.

530-57-4

1

1

1

Benzoic acid, 4-hydroxy-3,5-dimethoxy{syringic acid}

IV.A-3, IX.A-22, X-2

989.

121-34-6

1

1

1

Benzoic acid, 4-hydroxy-3-methoxy- {vanillic acid}

IV.A-3, IX.A-22, X-2, XXI-3

990.

617-05-0

0

1

0

Benzoic acid, 4-hydroxy-3-methoxy-, ethyl ester

V-3, IX.A-22, X-2

991.

3943-74-6

1

0

0

Benzoic acid, 4-hydroxy-3-methoxy-, methyl ester

V-3, IX.A-22, X-2

992.

96937-45-0

1

0

0

Benzoic acid, 4-hydroxy-methyl-

993.

121-98-2

0

1

0

Benzoic acid, 4-methoxy-, methyl ester
{methyl anisate}

994.

99-94-5

0

1

0

Benzoic acid, 4-methyl-

995.

3619-22-5

IV.A-3, IX.A-22
V-3, X-2

{p-toluic acid}

IV.A-3

1

0

0

Benzoic acid, 4-methyl-, hydrazide

996.

1

0

0

Benzoisoquinoline

XVII.E-6

XIII-1

997.

1

0

0

Benzoisoquinoline, dimethyl-

XVII.E-6

38

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
S

T

S
T

998.

1

0

0

Benzoisoquinoline, methyl-

999.

1

0

0

Benzoisoquinoline, tetramethyl-

XVII.E-6

1000.

1

0

0

Benzoisoquinoline, trimethyl-

XVII.E-6

CAS No.

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVII.E-6

1001.

226-88-0

1

0

0

Benzo[a]naphthacene

I.E-6

1002.

239-30-5

1

0

0

Benzo[b]naphtho[2,1-d]furan

X-2

1003.

243-42-5

1

0

0

Benzo[b]naphtho[2,3-d]furan

X-2

1

0

0

Benzo[b]naphtho[2,1-d]thiophene

100-47-0

1

1

1

Benzonitrile

1

0

0

Benzonitrile, C2-alkyl-

{2 isomers detected}
{5 isomers detected}

1004.
1005.
1006.
1007.

{phenyl cyanide}

XVIII.A-1
C6H5-CN

XI-2
XI-2

1

0

0

Benzonitrile, C3-alkyl-

6136-68-1

1

0

0

Benzonitrile, 3-acetyl-

1009.

1885-29-6

1

0

0

Benzonitrile, 2-amino-

1010.

36541-24-9

1

0

0

Benzonitrile, dimethyl-

XI-2

1011.

5724-56-1

1

0

0

Benzonitrile, 2,3-dimethyl-

XI-2

1012.

21789-36-6

1

0

0

Benzonitrile, 2,4-dimethyl-

XI-2

1013.

13730-09-1

1

0

0

Benzonitrile, 2,5-dimethyl-

XI-2

1014.

6575-13-9

1

0

0

Benzonitrile, 2,6-dimethyl-

XI-2

1015.

22884-95-3

1

0

0

Benzonitrile, 3,4-dimethyl-

XI-2

1016.

34136-59-9

1

0

0

Benzonitrile, 2-ethyl-

XI-2

1017.

25550-22-5

1

0

0

Benzonitrile, methyl-

XI-2

1018.

529-19-1

1

0

0

Benzonitrile, 2-methyl-

XI-2

1019.

34136-57-7

1

0

0

Benzonitrile, 3-ethyl-

XI-2

1020.

873-62-1

1

0

0

Benzonitrile, 3-hydroxy-

1021.

620-22-4

1

0

0

Benzonitrile, 3-methyl-

1022.

3435-51-6

1

0

0

Benzonitrile, 4-ethenyl-

XI-2

1023.

25309-65-3

1

0

0

Benzonitrile, 4-ethyl-

XI-2

1024.

767-00-0

1

0

0

Benzonitrile, 4-hydroxy-

XI-2

1025.

104-85-8

1

0

0

Benzonitrile, 4-methyl-

XI-2

1026.

60484-66-4

1

0

0

Benzonitrile, 4-propyl-

XI-2

1

0

0

Benzonitrile, trimethyl-

XI-2

1008.

1027.

XI-2
XI-2

{anthranilonitrile}

XI-2, XII-2

XI-2, IX.A-22
XI-2

1028.

189-55-9

1

0

0

Benzo[rst]pentaphene

{dibenzo[a,i]pyrene}

I.E-6

1029.

11057-45-7

1

0

0

Benzoperylene

I.E-6

1030.

197-70-6

1

0

0

Benzo[b]perylene

I.E-6

39

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1031.

191-24-2

1

0

0

Benzo[ghi]perylene

I.E-6

1032.

64760-22-1

1

0

0

Benzo[ghi]perylene, dimethyl{at least 3 isomers in MSS}

I.E-6

1033.

41699-09-6

1

0

0

Benzo[ghi]perylene, methyl{at least 2 isomers in MSS}

I.E-6

1034.

64760-23-2

1

0

0

Benzo[ghi]perylene, trimethyl{at least 2 isomers in MSS}

I.E-6

1035.

195-19-7

1

0

0

Benzo[c]phenanthrene

I.E-6

1

0

0

Benzo[c]phenanthrene, methyl-

194-03-6

1

0

0

Benzo[lmn]phenanthridine

1036.
1037.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.E-6
{thebenidine}

N

1038.

4250-90-2

0

1

0

Benzo[g]pteridine-10(2H)-acetaldehyde, 3,4dihydro-7,8-dimethyl-2,4-dioxo-

1039.

1086-80-2

0

1

0

Benzo[g]pteridine-2,4(1H,3H)-dione, 7,8-dimethyl-

III-12, XVII.E-8
H3C

N

H3C

N

H
N

O

XIV-1, XVII.E-8

NH

O

1040.

1088-56-8

0

1

0

Benzo[g]pteridine-2,4(3H,10H)-dione, 7,8,10trimethyl-

XIV-1, XVII.E-8

CH3
H3C

N

H3C

N

N

O
NH

O

1041.

0

1

0

2H-1-Benzopyran-3-carboxylic acid, 6,7-dihydroxy2-oxo-

IV.A-3, VI-3, IX.A-22
IV.A-3, VI-3, IX.A-22

1042.

19484-74-3

0

1

0

2H-1-Benzopyran-3-carboxylic acid, 7,8-dihydroxy2-oxo-

1043.

124052-01-3

0

1

0

2H-1-Benzopyran-3,4-dione, 2-(3,4dihydroxyphenyl)-2,5,7-trihydroxy-

1044.

59-02-9

1

1

1

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R[2R*(4R*,8R*)]]{α-tocopherol}

II.A-5, III-13, IX.A-22, X-2
CH3

IX.A-22,
X-2

HO
CH3
O

H3C

CH2-[CH2-CH2-CH(CH3)-CH2]3-H
CH3

1045.

148-03-8

1

0

0

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,8-trimethyl2-(4,8,12-trimethyltridecyl)- {β-tocopherol}

IX.A-22, X-2

1046.

7616-22-0

0

1

0

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl2-(4,8,12-trimethyltridecyl)-

IX.A-22, X-2

40

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1047.

1048.

CAS No.

S

T

S
T

56084-94-7

0

1

0

91-64-5

1

1

1

Name (per CA Collective Index)
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl2-(4,8,12,16,20,24,28,32-octamethyl3,7,11,15,19,23,27,31-tritriacontaoctaenyl)[3E,7E,11E,15E,19E,23,E,27E]
{solanochromene; solanachromene}
2H-1-Benzopyran-2-one

Chapter
Table

Selected structures

IX.A-22,
X-2

HO
CH3
O

H3C

CH2-[CH2-CH=C(CH3)-CH2]8-H
CH3

{coumarin}

VI-3
O

O

1049.

26093-31-2

0

1

0

2H-Benzopyran-2-one, 7-amino-4-methyl-

VI-3, XII-2

1050.

74712-71-3

0

1

0

2H-1-Benzopyran-2-one, 7-[[6-O-(6-deoxy-α-Lmannopyranosyl)-β-D-glucopyranosyl]oxy]-6methoxy-

1051.

119-84-6

1

1

1

2H-1-Benzopyran-2-one, 3,4-dihydro{dihydrocoumarin}

VI-3

1052.

305-01-1

1

1

1

2H-1-Benzopyran-2-one, 6,7-dihydroxy{esculetin}

VI-3, IX.A-22

1053.

60091-00-1

0

1

0

2H-1-Benzopyran-2-one, 7-[(6-O-β-Dglucopyranosyl-β-D-glucopyranosyl)oxy]-6methoxy-

1054.

531-75-9

1

1

1

2H-1-Benzopyran-2-one, 6-(β-Dglucopyranosyloxy)-7-hydroxy-

II.A-5, VI-3, VIII-3

II.A-5, VI-3, X-2

II.A-5, VI-3, IX.A-22, X-2
{esculin}

HO

O

O

O
HOCH2

O
OH
OH

HO

1055.

531-58-8

0

1

0

2H-1-Benzopyran-2-one, 7-(β-Dglucopyranosyloxy)-6-hydroxy-

HO

{cichoriin
O
HOCH2

O

O

O
OH
OH

HO

II.A-5, VI-3, IX.A-22, X-2, XXI-3
1056.

531-44-2

0

1

0

2H-1-Benzopyran-2-one, 7-(β-Dglucopyranosyloxy)-6-methoxy-

H3CO

{scopolin}
O
HOCH2

O

O

O
OH
OH

HO

II.A-5, VI-3, X-2
1057.

93-35-6

0

1

0

2H-1-Benzopyran-2-one, 7-hydroxy-

1058.

148-83-4

0

1

0

2H-1-Benzopyran-2-one, 7-hydroxy-6-(3,7-dimethyl2,6-octadienyl){ostruthin}

VI-3, IX.A-22
HO

O

O

HO

O

O

H3C

CH3

CH3

VI-3, IX.A-22
1059.

92-61-5

1

1

1

2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy{scopoletin}

H3CO

HO

1060.

90-33-5

0

1

0

2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-

1061.

531-59-9

0

1

0

2H-1-Benzopyran-2-one, 7-methoxy-

O

O

VI-3, IX.A-22, X-2, XXI-3
VI-3, IX.A-22
VI-3, X-2

41

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
1062.

S

T

S
T

0

1

0

2H-1-Benzopyran-2-one, 8-methoxy-

Name (per CA Collective Index)

Chapter
Table

Selected structures

VI-3, X-2

1063.

71050-53-8

0

1

0

2H-1-Benzopyran-2-one, 6-methoxy-7-(β-Dxylofuranosyloxy)-

II.A-5, VI-3, VIII-3, X-2

1064.

18309-73-4

0

1

0

2H-1-Benzopyran-2-one, 6-methoxy-7-[(6-O-β-Dxylopyranosyl-β-D-glucopyranosyl)oxy]-

II.A-5, VI-3, VIII-3, X-2

1065.

2445-82-1

1

0

0

2H-1-Benzopyran-2-one, 3-methyl-

1066.

92-48-8
66-76-2

1

0

0

2H-1-Benzopyran-2-one, 6-methyl2H-1-Benzopyran-2-one, 3,3'-methylenebis[4hydroxy{dicumarol}

1067.

4430-31-3

0

1

0

2H-1-Benzopyran-2-one, octahydro-

1068.

970-73-0

0

1

0

2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5trihydroxyphenyl)-, (2R-E)-

VI-3
VI-3, IX.A-22
Dicumarol not detected in MSS from
coumarin-treated tobacco.
VI-3
OH
HO
3

HO

2

5

4

HO

4

5

6
7

1

O

OH

8

3

OH

II.A-5, IX.A-22, X-2
1069.

970-74-1

0

1

0

2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5trihydroxyphenyl)-, (2R-Z)-

II.A-5, IX.A-22, X-2

1070.

124052-00-2

0

1

0

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)2,3-dihydro-2,3,5,7-tetrahydroxy-

II.A-5, IX.A-22, X-2

1071.

21637-25-2

0

1

0

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3(β-D-glucofuranosyloxy)-5,7-dihydroxy{isoquercitrin}

1072.

117-39-5

1

1

1

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)3,5,7-trihydroxy{quercitin}

II.A-5, III-13, IX.A-22, X-2, XXI-3

OH

7

HO

II.A-5, III-13,
IX.A-22, X-2

O

5
6

4
1

OH
3
2

OH

O
OH

1073.

7215-44-3

0

1

0

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3[(2-O-β-D-glucopyranosyl-D-glucopyranosyl)oxy]5,7-dihydroxy-

II.A-5, III-13, IX.A-22, X-2

1074.

1486-70-0

0

1

0

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)5,7-dihydroxy-3-methoxy-

III-13, IX.A-22, X-2

1075.

2068-02-2

0

1

0

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5hydroxy-3,7-dimethoxy-

III-13, IX.A-22, X-2

1076.

491-50-9

0

1

0

II.A-5, III-13, IX.A-22, X-2

1077.

124051-99-6

0

1

0

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7(β-D-glucopyranosyloxy)-3,5-dihydroxy{quercimeritrin}
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7[[2-(3,4-dihydroxyphenyl)-2,3-dihydro-2,6dihydroxy-3-oxo-4-benzofuranyl]oxy]-2,3-dihydro3,5-dihydroxy-

1078.

480-41-1

0

1

0

4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy2-(4-hydroxyphenyl)-, (S){naringenin}

III-13, IX.A-22, X-2

III-13, IX.A-22, X-2

42

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1079.

CAS No.

S

T

S
T

480-10-4

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5,
III-13,
IX.A-22,
X-2

HO

4H-1-Benzopyran-4-one, 3-(β-Dglucopyranosyloxy)-5,7-dihydroxy-2-(4hydroxyphenyl){kaempferol glycoside}

OH

O

O
HOCH2

O
O

OH

1080.

520-18-3

1

1

1

4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4hydroxyphenyl){kaempferol}

OH

OH

HO

II.A-5,
III-13,
IX.A-22,
X-2

OH
HO

O

OH
OH

O

1081.

55136-76-0

0

1

0

4H-1-Benzopyran-4-one, 3-[(2-O-β-Dglucopyranosyl-β-D- glucopyranosyl)oxy]-7-(β-Dglucopyranosyloxy)-5-hydroxy-2-(4hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

1082.

142235-82-3

0

1

0

4H-1-Benzopyran-4-one, 3-[(2-O-β-Dglucopyranosyl-β-D-galactopyranosyl)oxy]-7-(β-Dglucopyranosyloxy)-5-hydroxy-2-(4hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

1083.

19895-95-5

0

1

0

4H-1-Benzopyran-4-one, 3-[(2-O-β-Dglucopyranosyl-β-D-glucopyranosyl)oxy]-5,7dihydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

1084.

522-12-3

0

1

0

4H-1-Benzopyran-4-one, 3-[(6-deoxy-α-Lmannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7dihydroxy{quercitrin}

II.A-5, III-13, IX.A-22, X-2

1085.

55696-57-6

0

1

0

4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-Lmannopyranosyl-(1→2)-O-[6-deoxy-α-Lmannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-

II.A-5, III-13, IX.A-22, X-2

1086.

55804-74-5

0

1

0

4H-1-Benzopyran-4-one, 3-[(O-6-deoxy-α-Lmannopyranosyl-(1→2)-O-[6-deoxy-α-Lmannopyranosyl-(1→6)]-β-D-glucopyranosyl)oxy]5,7-dihydroxy-2-(4-hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

1087.

153-18-4

0

1

0

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-Lmannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4dihydroxyphenyl)-5,7-dihydroxy{rutin}

HO

OH

O

HO

ruffinose

O
O

OH

II.A-5,III-13,IX.A-22, X-2, XXI-3
II.A-5, III-13, IX.A-22, X-2

1088.

17650-84-9

0

1

0

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-Lmannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7dihydroxy-2-(4-hydroxyphenyl)-

1089.

30311-61-6

0

1

0

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-Lmannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5hydroxy-

II.A-5, III-13, IX.A-22, X-2

1090.

34336-18-0

0

1

0

4H-1-Benzopyran-4-one, 3-[[6-O-(6-deoxy-α-Lmannopyranosyl)-β-D-glucopyranosyl]oxy]-7-(β-Dglucopyranosyloxy)-5-hydroxy-2-(4hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

43

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1091.

29859-91-4

0

1

0

4H-1-Benzopyran-4-one, 3-[[O-(6-deoxy-Lmannosyl)-D-galactosyl]oxy]-5,7-dihydroxy-2-(4hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

1092.

27554-19-4

0

1

0

4H-1-Benzopyran-4-one, 3-[[O-(6-deoxy-Lmannosyl)-D-glucosyl]oxy]-5,7-dihydroxy-2-(4hydroxy phenyl)-

II.A-5, III-13, IX.A-22, X-2

1093.

58934-57-9

0

1

0

4H-1-Benzopyran-4-one, 3-[[O-(6deoxymannosyl)glucosyl]oxy]-7-(β-Dglucopyranosyloxy)-5-hydroxy-2-(4hydroxyphenyl)-

II.A-5, III-13, IX.A-22, X-2

1094.

828-82-0

1

0

0

4H-1-Benzopyran-4-one, 3-ethyl-

1095.

520-34-3

0

1

0

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3hydroxy-4-methoxyphenyl){diosmetin}

1096.

4382-17-6

0

1

0

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4hydroxy-3-methoxyphenyl)-3-methoxy-

III-13, IX.A-22, X-2

1

0

0

4H-1-Benzopyran-4-one, hydroxy-

III-13, IX.A-22, X-2

1097.

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13, X-2
III-13, IX.A-22, X-2

1098.

38445-24-8

1

0

0

4H-1-Benzopyran-4-one, 6-hydroxy-

1099.

10236-47-2

0

1

0

4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-Lmannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S){naringin}

II.A-5, III-13, IX.A-22, X-2

1100.

0

1

0

4H-1-Benzopyran-4-one, 2-phenyl-, 3',4',5,5',7pentahydroxy-3-[[O-(6-deoxymannosyl)-Dglucosyl]oxy]-

II.A-5, III-13, IX.A-22, X-2

1101.

0

1

0

4H-1-Benzopyran-4-one, 2-phenyl-, 3',4',5,7tetrahydroxy-3-[[O-(6-deoxymannosyl)-Dglucosyl]oxy]-

II.A-5, III-13, IX.A-22, X-2

1102.

0

1

0

7H-1-Benzopyran-7-one, 2,4a,5,6,8,8a-hexahydro2,5,5,8a-tetramethyl-

1

1

1

7H-1-Benzopyran-7-one, 2,3,5,6,8,8a-hexahydro2,5,5,8a-tetramethyl{1,5,5,9-tetramethyl-10-oxabicyclo[4.4.0]dec-6-en3-one}

1103.

1104.

1105.

20194-67-6

5835-18-7

83-79-4

1

0

1

1

1

0

III-13, IX.A-22, X-2

7H-1-Benzopyran-7-one, octahydro-2,5,5,8atetramethyl{7-chromanone, hexahydro-2,5,5,8a-tetramethyl-}
Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran6(6aH)-one, 1,2,12,12a-tetrahydro-8,9-dimethoxy2-(1-methylethenyl)-, [2R-(2α,6aα,12aα)]{Rotenone®}

III-13, X-2
III-13, X-2

4
5

6
7

O

3

4a
8a

2

1

O

8

III-13, X-2

4
5

6

3

4a
7

8a

O

1

2

O

8

III-13, X-2,
XXI-3

CH2
H3C
H
O

O
O

O

H
OCH3
OCH3

1106.
1107.

50-32-8

1

0

0

Benzopyrene

1

1

1

Benzo[a]pyrene

I.E-6
{B[a]P}

I.E-6

1

12
11

2

10

3

9
8

4
7

6

5

44

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
1108.
1109.

S

T

S
T

1

0

0

Benzo[a]pyrene, alkyl-

I.E-6

Name (per CA Collective Index)

Chapter
Table

Selected structures

1

0

0

Benzo[a]pyrene, 3,4-dihydro-

I.E-6

1110.

17573-23-8

1

0

0

Benzo[a]pyrene, 7,8-dihydro-

I.E-6

1111.

25167-90-2

1

0

0

Benzo[a]pyrene, dimethyl{at least 2 isomers in MSS}

I.E-6

1

0

0

Benzo[a]pyrene, ethyl-

I.E-6
I.E-6

1112.
1113.

25167-89-9

1

0

0

Benzo[a]pyrene, methyl{at least 2 isomers in MSS}

1114.

69453-35-6

1

0

0

Benzo[a]pyrenediol

IX.A-22

1115.

63455-19-6

1

0

0

Benzo[a]pyrenol

IX.A-22

1116.

20928-82-9

1

0

0

Benzo[a]pyren-6-yloxy

IX.A-22

1117.

7130-15-6

1

0

0

3H-Benzo[cd]pyrene, 4,5-dihydro-

1118.

192-97-2

1

1

1

Benzo[e]pyrene

1119.

41699-06-3

1

0

0

Benzo[e]pyrene, dimethyl{at least 2 isomers in MSS}

I.E-6

1120.

41699-04-1

1

0

0

Benzo[e]pyrene, methyl{at least 2 isomers in MSS}

I.E-6

1121.

64760-21-0

1

0

0

Benzo[e]pyrene, trimethyl-

1122.

30907-88-1

0

1

0

6H-Benzo[c]pyrido[3,2,1-jk]carbazole

I.E-6

{B[e]P}

I.E-6

I.E-6
XVII.E-6

N

1123.

528-58-5

0

1

0

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3,5,7trihydroxy-, chloride

1124.

22688-80-8

0

1

0

1-Benzopyrylium, 2-(3,4-dihydroxyphenyl)-3-[(2-Oβ-D-glucopyranosyl-D-glucopyranosyl)oxy]-5,7dihydroxy-, chloride

1125.

528-53-0

0

1

0

1-Benzopyrylium, 3,5,7-trihydroxy-2-(3,4,5trihydroxyphenyl)-, chloride

1126.

18719-76-1

0

1

0

1-Benzopyrylium, 3-[6-O-(6-deoxy-α-Lmannopyranosyl)-β-D-glucopyranosyl]oxy]-2-(3,4dihydroxyphenyl)-5,7-dihydroxy-, chloride

II.A-5, IX.A-22, X-2, XVIII.B-3

1127.

33978-17-5

0

1

0

1-Benzopyrylium, 3-[6-O-(6-deoxy-α-Lmannopyranosyl)-β-D-glucopyranosyl]oxy]-5,7dihydroxy-2-(4-hydroxyphenyl)-, chloride

II.A-5, IX.A-22, X-2, XVIII.B-3

1128.

39327-16-7

1

0

0

Benzoquinoline

{benzo[g]quinoline}

IX.A-22, X-2, XVIII.B-3
II.A-5, IX.A-22, X-2, XVIII.B-3

II.A-5, IX.A-22, XVIII.B-3

f

e

XVII.E-6

c

d

b

g

a

N

1129.

1

0

0

Benzoquinoline, dimethyl-

XVII.E-6

45

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
S

T

S
T

1130.

1

0

0

Benzoquinoline, methyl-

XVII.E-6

1131.

1

0

0

Benzoquinoline, tetramethyl-

XVII.E-6

1132.

1

0

0

Benzoquinoline, trimethyl-

XVII.E-6

1133.

1

0

0

Benzo[c]quinoline
{phenanthridine; 9-azaphenanthrene}

XVII.E-6

CAS No.

Name (per CA Collective Index)

Chapter
Table

Selected structures

1134.

85-02-9

1

0

0

Benzo[f]quinoline

{1-azaphenanthrene}

XVII.E-6

1135.

230-27-3

1

0

0

Benzo[h]quinoline

{4-azaphenanthrene}

XVII.E-6

1

0

0

o-Benzosemiquinone radical

1136.
1137.

1

0

0

p-Benzosemiquinone radical

1138.

95-16-9

1

1

1

Benzothiazole

1139.

120-78-5

0

1

0

Benzothiazole, 2,2’-dithiobis-

XXVII-1
XXVII-1
{benzosulfonazole}

XVIII.A-1

S

N

{Thiofide®}

_

XVIII.A-1, XXI-3

_

N

S_

1140.

615-22-5

0

1

0

Benzothiazole, 2-methylthio-

1141.

934-34-9

0

1

0

2(3H)-Benzothiazolone

S

_

2

XVIII.A-1
XVIII.A-1

S
O
N
H

1142.

1128-67-2

1

0

0

2(3H)-Benzothiazolone, 3-methyl-, hydrazone

XVIII.A-1

1143.

95-15-8

1

0

0

Benzo[b]thiophene

XVIII.A-1
S

1144.

1

0

0

Benzo[b]thiophene, C2-alkyl-

XVIII.A-1

1145.

1

0

0

Benzo[b]thiophene, C3-alkyl-

XVIII.A-1

1146.

1

0

0

Benzo[b]thiophene, methyl-

1147.

14315-11-8

1

0

0

Benzo[b]thiophene, 4-methyl-

1148.

95-14-7

1

0

0

1H-Benzotriazole

{4 isomers reported}

{1,2,3-triaza-1H-indene}

XVIII.A-1
XVIII.A-1
XVII.E-6

H
N
N
N

1149.

215-58-7

1

0

0

Benzo[b]triphenylene

{dibenz[a,c]anthracene}

1150.

64760-20-9

1

0

0

Benzo[b]triphenylene, methyl-

I.E-6

I.E-6

46

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1151.

17924-92-4

0

1

0

1H-2-Benzoxacyclotetradecin-1,7(8H)-dione,
3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3methyl-, [S-(E)]-

1152.

273-53-0

1

0

0

Benzoxazole

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5

{1-oxa-3-azaindene}

4

XVII.D-2

3

N

5

2
6

O
7

1153.

1

1

0

0

Benzoxazole, C2-alkyl-

XVII.D-2

1154.

72692-90-1

1

0

0

Benzoxazole, 2,4-dimethyl-

XVII.D-2

1155.

5676-58-4

1

0

0

Benzoxazole, 2,5-dimethyl-

XVII.D-2

1156.

72692-91-2

1

0

0

Benzoxazole, 4,6-dimethyl-

XVII.D-2

1157.

78210-58-9

1

0

0

Benzoxazole, 5,7-dimethyl-

XVII.D-2

1158.

78210-57-8

1

0

0

Benzoxazole, 7-ethyl-

XVII.D-2

1159.

95-21-6

1

0

0

Benzoxazole, 2-methyl-

1160.

27548-56-7

0

1

0

3-Benzoxepin-7-methanol, 5a,6,7,8,9,9ahexahydro-α,α,5,9a-tetramethyl-, (5aα,7α,9aα)-(-)-

1161.

7440-41-7

1

1

1

Beryllium

1162.

434-85-5

1

0

0

[9,9'-Bianthracene]-10,10'(9H,9'H)-dione
{bianthrone; dianthraquinone}

XVII.D-2
II.A-5, X-2
Be

XX-5
III-13

O
1

8
9

7

2
3

6
4

5

O

1163.

121-46-0

0

1

0

Bicyclo[2.2.1]hepta-2,5-diene

I.C-1
{norbornadiene}

1164.

79-92-5

1

1

1

Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene{camphene}

I.C-1

1165.

8001-35-2

0

1

0

Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-,
polychlorinated
{Toxaphene®}

XVIII.B-3, XXI-3

1166.

8001-50-1

0

1

0

Bicyclo[2.2.1]heptane, 2,2-dimethyl-3-methylene-,
polychlorinated
+ Bicyclo[3.1.1]hept-2-ene,
2,6,6-trimethyl-, polychlorinated
{Strobane®; Dichloricide®}

XVIII.B-3, XXI-3

1167.

509-11-5

0

1

0

Bicyclo[2.2.1]heptan-2-ol, 1,7-dimethyl-, (exo,anti)-

1168.

507-70-0

1

1

1

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, endo{borneol}

II.A-5
II.A-5

CH3
OH
H3C__ CH3

1169.

125-12-2

0

1

0

Bicyclo[2,2,1]heptan-2-ol, 1,7,7-trimethyl-, acetate
{isobornyl acetate}

V-3

1170.

2756-56-1

0

1

0

Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-,
propanoate, exo-

V-3

1171.

1195-79-5

0

1

0

Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-

III-13

1172.

4695-62-9

0

1

0

Bicyclo[2,2,1]heptan-2-one, 1,3,3-trimethyl{d-fenchone}

III-13

47

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1173.

CAS No.

S

T

S
T

76-22-2

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl{camphor}

III-13

CH3
O
H3C__ CH3

1174.

498-66-8

1

0

0

I.C-1

Bicyclo[2.2.1]hept-2-ene
{norbornene}

1175.

127-91-3
18172-67-3

1

1

1

Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene{β-pinene}

I.C-1

1176.

22422-24-0

0

1

0

Bicyclo[3,1,1]heptane-2,3-diol, 2,6,6-trimethyl{2,3-pinanediol}

II.A-5

HO
HO

1177.

80-56-8
7785-26-4

1

1

1

Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl{α-pinene}

I.C-1

1178.

4889-83-2

0

1

0

Bicyclo[3.1.1]hept-2-ene, 3,6,6-trimethyl-

I.C-1

1179.

515-00-4

0

1

0

Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-

II.A-5

CH3
CH3

CH2OH

1180.

3387-41-5

0

1

0

Bicyclo[3.1.0]hexane, 4-methylene-1-(1methylethyl){sabinene}

I.C-1

1181.

471-16-9

0

1

0

Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1methylethyl)-, [1S-(1α,3β,5α)]{sabinol}

II.A-5

1182.

2867-05-2

0

1

0

Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl){3-thujene}

I.C-1

1183.

3917-48-4

0

1

0

Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl), (1R)-

I.C-1

1184.

92-51-3

1

1

1

1,1'-Bicyclohexyl

I.C-1

1185.

280-65-9

1

0

0

Bicyclo[3.3.1]nonane

{cyclohexylcyclohexane}

I.C-1

48

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1186.

CAS No.

S

T

S
T

124749-69-5

1

0

0

Name (per CA Collective Index)
Bicyclo[3.3.1]nonan-3-one, 1-hydroxy-6-(1methylethyl)-, endo-

Chapter
Table

Selected structures

II.A-5, III-13

CH3
H3C

O

OH

1187.

123695-64-7

1

0

0

Bicyclo[3.3.1]nonan-3-one, 1-hydroxy-6-(1methylethyl)-, exo-

1188.

61185-25-9

0

1

0

Bicyclo[3.3.1]non-6-en-2-one, 4,4,9-trimethyl-8methylene-, anti-

II.A-5, III-13
III-13

H3C
5

6

CH3

4

H3C

7

8

3

9

1

2

O

H2C

1189.

0

1

0

Bicyclo[3.3.1]non-6-en-2-one, 4,9,9-trimethyl-8methylene-

1190.

13466-78-9

0

1

0

Bicyclo[4.1.0]hept-3-ene, 3,7,7-trimethyl-

1191.

87-44-5

0

1

0

Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8methylene-, [1R-(1R*,4E,9S*)]- {β-caryophyllene}

III-13
I.C-1
I.C-1

CH3
10
9

H2C

CH3

11
1

2

8
5

7

3

4
6

CH3

1192.

32214-91-8

0

1

0

Bicyclo[7.2.0]undec-4-ene, 4,11,11-trimethyl-8methylene-, acetate
{β-caryophyllene acetate}

V-3

1193.

53093-94-0

0

1

0

2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1methylethenyl)-, (Z)- (±)-

X-2

1194.

53093-95-1

0

1

0

2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1methylethenyl)-, (E)- (±)-

X-2

1195.

53093-96-2

0

1

0

2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1methylethyl)-, (Z)- (±)-

X-2

1196.

53093-97-3

0

1

0

2,2'-Bifuran, 2,3,4,5-tetrahydro-2,5'-dimethyl-5-(1methylethyl)-, (E)- (±)-

X-2

1197.

20298-86-6

0

1

0

21H-Biline-8,12-dipropanoic acid, 18-ethyl-3ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17tetramethyl-1,19-dioxo-, (2R,3E)-

HOOC

H3C
CH CH3

H3C

O

7

3

2

4

1

N
H

5

C
H2

COOH

(CH2)2 (CH2)2
8

12
9

6

N
H

10

C
H

CH3

14

11

N
H

CH3

13

C2H5

17 18
15

C
H2

16

N
H

19

O

IV.A-3, XVII.C-1
1198.

604-53-5

1

0

0

1,1'-Binaphthalene

I.E-6

1199.

71265-39-9

1

0

0

1,1'-Binaphthalene, dimethyl-

I.E-6

1200.

71277-81-1

1

0

0

1,1'-Binaphthalene, ethyl-

I.E-6

1201.

59615-45-5

1

0

0

1,1’-Binaphthalene, methyl-

I.E-6

1

0

0

1,2’-Binaphthalene

I.E-6

1202.

49

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1203.

612-78-2

1

0

0

2,2'-Binaphthalene

I.E-6

1204.

71294-43-4

1

0

0

2,2'-Binaphthalene, dimethyl-

I.E-6

1205.

71277-82-2

1

0

0

2,2'-Binaphthalene, ethyl-

I.E-6

1206.

41637-91-6

1

0

0

2,2'-Binaphthalene, methyl-

1207.

92-52-4

1

1

1

1,1'-Biphenyl

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.E-6
{diphenyl}

2'

3'

2
1'

4'
5'

1

6'

I.D-1

3
4

6

5

1208.

2051-24-3

1

1

1

1,1'-Biphenyl, decachloro-

1209.

92-87-5

1

0

0

1,1’-Biphenyl, 4,4’-diamino-

1210.

61141-66-0

0

1

0

1,1’-Biphenyl, 3,4-diethyl-

1211.

1133-63-7

1

0

0

1,1’-Biphenyl, 2,3-dihydroxy-

0

1

0

1,1'-Biphenyl, 3,4'-dimethyl-

I.D-1

1213.

613-33-2

1

0

0

1,1'-Biphenyl, 4,4'-dimethyl-

I.D-1

1214.

28013-11-8

1

1

1

1,1'-Biphenyl, ar,ar'-dimethyl-

I.D-1

1215.

40529-66-6

1

0

0

1,1'-Biphenyl, ethyl-

I.D-1

1

0

0

1,1'-Biphenyl, 2-ethyl-

I.D-1

1212.

1216.

XVIII.B-3
XII-2
I.D-1
IX.A-22

1217.

71277-83-3

1

0

0

1,1'-Biphenyl, ethylmethyl-

I.D-1

1218.

28652-72-4

1

1

1

1,1'-Biphenyl, methyl-

I.D-1

1219.

643-58-3

1

0

0

1,1'-Biphenyl, 2-methyl-

I.D-1

1220.

643-93-6

1

0

0

1,1'-Biphenyl, 3-methyl-

I.D-1

1221.

644-08-6

1

0

0

1,1'-Biphenyl, 4-methyl-

1222.

92-93-3

1

0

0

1,1'-Biphenyl, 4-nitro-

1223.

71294-42-3

1

0

0

1,1'-Biphenyl, propyl-

1224.

30581-97-6

1

0

0

1,1'-Biphenyl, trimethyl-

1225.

90-41-5

1

0

0

[1,1'-Biphenyl]-2-amine

1226.

2243-47-2

1

0

0

[1,1'-Biphenyl]-3-amine

1227.

92-67-1

1

0

0

[1,1'-Biphenyl]-4-amine

1

0

0

[1,1'-Biphenyl]-ol

IX.A-22

90-43-7

1

0

0

[1,1'-Biphenyl]-2-ol

IX.A-22

1230.

92-69-3

1

0

0

[1,1'-Biphenyl]-4-ol

IX.A-22

1231.

259-79-0

1

0

0

Biphenylene

1232.

531-67-9

0

1

0

2,2’-Bipiperidine

1233.

37275-48-2

1

0

0

Bipyridine

1234.

78310-61-9

1

0

0

Bipyridine, dimethyl-

1235.

64859-48-9

1

0

0

Bipyridine, ethyl-

1236.

64859-47-9

1

0

0

Bipyridine, methyl-

1237.

64859-47-8

1

0

0

Bipyridine, methyl-

1228.
1229.

I.D-1
XVI-1
I.D-1
{3 isomers detected}

I.D-1
XII-2
XII-2

{4-aminobiphenyl}

XII-2

I.E-6

H
N

XVII.B-6

H
N

XVII.B-6
{2 isomers detected}

XVII.B-6
XVII.B-6

{4 isomers in all}

XVII.B-6
XVII.B-6

50

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1238.

78310-62-0

1

0

0

Bipyridine, phenyl-

1239.

366-18-7

1

1

1

2,2'-Bipyridine

1

0

0

2,2’-Bipyridine, amino-

1240.

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVII.B-6
{nicoteine}

XVII.B-6
XVII.B-6

1241.

78210-73-8

1

0

0

2,2'-Bipyridine, 4,5-dimethyl-

XVII.B-6

1242.

56100-19-7

1

0

0

2,2'-Bipyridine, 4-methyl-

XVII.B-6

1243.

581-50-0

1

1

1

2,3'-Bipyridine

{isonicoteine}

XVII.B-6

4
5

3
4'

6

5'

N
2'

6'
N

1244.
1245.
1246.

2743-90-0

1247.
1248.

581-49-7

1

0

0

2,3'-Bipyridine, dimethyl-

XVII.B-6

1

0

0

2,3'-Bipyridine, methyl-

XVII.B-6

0

1

0

2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (±)-

XVII.B-6

1

0

0

2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (R){d-anatabine}

XVII.B-6

1

1

1

2,3'-Bipyridine, 1,2,3,6-tetrahydro-, (S){l-anatabine}

XVII.B-6
N
H
N

1249.
1250.
1251.

61892-64-6

1

0

0

2,3'-Bipyridine, 1,2,3,6-tetrahydro-ethyl-

XVII.B-6

1

0

0

2,3'-Bipyridine, 1,2,3,6-tetrahydro-methyl-

XVII.B-6

1

1

1

2,3'-Bipyridine, 1-acetyl-1,2,3,6-tetrahydro-, (S){N’-acetylanatabine}

XVII.B-6
N

N

CO-CH3

1252.

5953-51-5

1

1

1

2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-methyl-, (S)-

XVII.B-6

1253.

96552-71-5

1

0

0

2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-(1-oxohexyl)-,
(S){N’-hexanoylanatabine}

XVII.B-6

1254.

96552-72-6

1

0

0

2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-(1-oxooctyl)-,
(S){N’-octanoylanatabine}

XVII.B-6

1255.

71267-22-6

1

1

1

2,3'-Bipyridine, 1,2,3,6-tetrahydro-1-nitroso-, (S){NAT}

1256.

61892-98-6

1

0

0

2,3'-Bipyridine, 1-ethyl-1,2,3,6-tetrahydro-, (S)-

XVII.B-6

1257.

26636-59-9

1

0

0

2,3'-Bipyridine, 2'(or 3)-methyl-

XVII.B-6

1258.

78210-76-1

1

0

0

2,3'-Bipyridine, 3-ethyl-

XVII.B-6

1259.

78210-75-0

1

0

0

2,3'-Bipyridine, 4-(2-butenyl)-

XVII.B-6

1260.

78210-74-9

1

0

0

2,3'-Bipyridine, 4-(2-propenyl)-

XVII.B-6

1261.

38840-05-0

1

1

1

2,3'-Bipyridine, 4-methyl-

XVII.B-6

1262.

20410-87-1

0

1

0

2,3'-Bipyridine, 5-(1-methyl-2-piperidinyl)-, (+)-

XVII.B-6

0

1

0

2,3'-Bipyridine, 5-(2-piperidinyl)-

1264.

78210-79-4

1

0

0

2,3'-Bipyridine, 5-(1-propenyl)-

XVII.B-6

1265.

78210-81-8

1

0

0

2,3'-Bipyridine, 5-ethenyl-

XVII.B-6

1263.

XV-8, XVII.B-6

{anabasamine}

XVII.B-6

51

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1266.

34671-89-1

1

0

0

2,3'-Bipyridine, 5-ethyl-

1267.

26844-80-4

1

1

1

2,3'-Bipyridine, 5-methyl-

XVII.B-6

1268.

78210-80-7

1

0

0

2,3'-Bipyridine, 5-propyl-

XVII.B-6

1269.

78210-77-2

1

0

0

2,3'-Bipyridine, 6-ethyl-

XVII.B-6

1270.

78210-78-3

1

0

0

2,3'-Bipyridine, 6-methyl-

XVII.B-6

1271.

61892-65-7

1

1

1

[2,3'-Bipyridine]-1(2H)-carboxaldehyde, 3,6-dihydro, (S){N’-formylanatabine}

III-12, XVII.B-6

1272.

96552-70-4

1

0

0

[2,3'-Bipyridine]-1(2H)-carboxylic acid, 3,6-dihydro-,
methyl ester, (S)-

V-3, XVII.B-6

1273.

70898-21-4

1

0

0

[2,3'-Bipyridin]-6'(1'H)-one, 3,4,5,6-tetrahydro-

1274.

581-47-5

1

1

1

2,4'-Bipyridine

1275.

581-46-4

1

1

1

3,3'-Bipyridine

XVII.B-6

1276.

38840-06-1

0

1

0

3,3'-Bipyridine, 4-methyl-

XVII.B-6

1277.

78210-82-9

1

0

0

3,3'-Bipyridine, 5-methyl-

XVII.B-6

1278.

78210-83-0

1

0

0

3,3'-Bipyridine, 6-methyl-

XVII.B-6

1279.

553-26-4

1

1

1

4,4'-Bipyridine

1280.

7440-69-9

1

1

1

Bismuth

Bi
Bi

XX-5

Bi

XX-5

1281.

14331-79-4

1282.
1283.

7440-42-8

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVII.B-6

XVII.B-6, XVII.C-1
XVII.B-6

XVII.B-6
XX-5

1

1

1

Bismuth, isotope of mass 210

210

0

1

0

Bismuth, isotope of mass 216

216

1

1

1

Boron

B

XX-5
-1

1284.

24959-67-9

1

1

1

Bromide

Br

XVIII.B-3, XX-5

1285.

7726-95-6

1

1

1

Bromine

Br2

XVIII.B-3, XX-5

82

XVIII.B-3, XX-5

1286.

14686-69-2

1

1

1

Bromine, isotope of mass 82

1287.

25339-57-5

1

0

0

Butadiene

1

0

0

Butadiene radical

1289.

590-19-2

1

0

0

1,2-Butadiene

1290.

106-99-0

1

0

0

1,3-Butadiene

1291.

78-79-5

1

0

0

1,3-Butadiene, 2-methyl-

1292.

1

0

0

1,3-Butadiene, 2-methyl- radical
{isoprene radical}

1293.

1

0

0

1,3-Butadiene, 1,2,4-trialkyl1,3-Butadiene, 2-(4’,8’,12’-trimethyltridecyl)-

R-CH=C(R1)-CH=CH-R2
I.B-1
See: 1-Hexadecene, 3-methylene-7,11,15trimethylHC≡C-C≡CH

1288.

Br2

I.B-1
XXVII-1
H2C=C=CH-CH3

{isoprene}

I.B-1

H2C=CH-CH=CH2

I.B-1

H2C=C(CH3)-CH=CH2

I.B-1
XXVII-1

1294.

460-12-8

1

0

0

1,3-Butadiyne

1295.

123-72-8

1

1

1

Butanal

H3C-(CH2)2-CH=O

III-12

0

1

0

Butanal, 4-amino-

H2N-(CH2)3-CH=O

III-12, XII-2

HOCH2-CHOH-CH2-CH=O

II.A-5, III-12

1296.

{butyraldehyde}

1297.

34764-22-2

1

0

0

Butanal, 3,4-dihydroxy-

1298.

2109-98-0

1

0

0

Butanal, 2,3-dimethyl-

1299.

97-96-1

1

1

1

Butanal, 2-ethyl-

1300.

107-89-1

1

0

0

Butanal, 3-hydroxy-

0

1

0

Butanal, 3-hydroxy-2-oxo-

1

0

0

Butanal, 4-hydroxy-

1

0

0

Butanal, 4-(2-hydroxyethoxy)-

1301.
1302.
1303.

25714-71-0

I.B-1

III-12
{diethylacetaldehyde}
{aldol}
{methylreductone}

(C2 H5)2=CH-CH=O
H3C-CHOH-CH2-CH=O

III-12
II.A-5, III-12

H3C-CHOH-CO-CH=O II.A-5, III-12, III-13
HO-(CH2)3-CH=O
II.A-5, III-12
HO-CH2CH2-O-(CH2)3-CH=O
II.A-5, III-12, X-2

52

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1304.

96-17-3

1

1

1

Butanal, 2-methyl-

1305.

590-86-3

1

1

1

Butanal, 3-methyl{3-methylbutyraldehyde; isovaleraldehyde}

(H3C)2=CH-CH2-CH=O

III-12

1306.

7729-27-3

0

1

0

Butanal, 4-(methylamino)-

H3C-NH-(CH2)3-CH=O

III-12

0

1

0

Butanal, 2-methyl-4-phenyl-

1308.

4417-81-6

1

0

0

Butanal, 2-oxo-

1309.

1758-51-6

0

1

0

Butanal, 2,3,4-trihydroxy-, (R*,R*)-

1310.

541-35-5

1

0

0

Butanamide

1311.

66309-91-9

1

0

0

Butanamide, 2,3-dimethyl-

(H3C)2=CH-CH(CH3)-CO-NH2

XIII-1

1312.

1113-57-1

1

0

0

Butanamide, 2-methyl-

H3C-CH2-CH(CH3)-CO-NH2

XIII-1

1313.

61892-66-8

1

0

0

Butanamide, 3-cyano-3-methyl-

(H3C)2=C(CN)-CH2-CO-NH2

XIII-1

1314.

541-46-8

1

0

0

Butanamide, 3-methyl-

(H3C)2=CH-CH2-CO-NH2

1315.

53897-27-1

1

0

0

Butanamide, 4-cyano-

NC-(CH2)3-CO-NH2

1316.

109-73-9

1

1

1

1-Butanamine

H3C-(CH2)3-NH2

1317.

71277-84-4

1

0

0

1-Butanamine, methyl-

1318.

96-15-1

1

0

0

1-Butanamine, 2-methyl-

H3C-CH2-CH(CH3)-CH2-NH2

XII-2

1319.

107-85-7

1

1

1

1-Butanamine, 3-methyl-

(H3C)2=CH-(CH2)2-NH2

XII-2

1320.

78579-58-5

1

1

1

1-Butanamine, 3-methyl-N-propyl-

(H3C)2=CH-(CH2)2-NH-(CH2)2-CH3

XII-2

1321.

111-92-2

0

1

0

1-Butanamine, N-butyl-

[H3C- (CH2)3]2=NH

XII-2

1322.

924-16-3

1

0

0

1-Butanamine, N-butyl-N-nitroso-

1323.

110-68-9

1

1

1

1-Butanamine, N-methyl-

H3C-(CH2)3-NH-CH3

1324.

7068-83-9

1

0

0

1-Butanamine, N-methyl-N-nitroso-

H3C-(CH2)3-N(NO)-CH3

1

0

0

1-Butanamine, N-(1-methylethyl)-

H3C-(CH2)3-NH-CH=(CH3)2

1326.

56375-33-8

1

0

0

1-Butanamine, N-nitroso-

H3C-(CH2)3-NH-NO

1327.

20810-06-4

1

0

0

1-Butanamine, N-(2-methylpropyl)-

H3C-(CH2)3-NH-CH2-CH=(CH3)2

XII-2

1328.

4104-44-3

0

1

0

1-Butanamine, N,3-dimethyl-

(H3C)2=CH-(CH2)2-NH-CH3

XII-2

1329.

13952-84-6

1

1

1

2-Butanamine

H3C-CH2-CH(NH2)-CH3

XII-2

1

0

0

2-Butanamine, N-methyl-

H3C-CH2-CH(NH-CH3)-CH3

XII-2

1307.

1325.

1330.

Name (per CA Collective Index)
{2-methylbutyraldehyde}

H3C-CH2-CH(CH3)-CH=O

III-12

C5H6-(CH2)2-CH(CH3)-CH=O
{ethylglyoxal}
{erythrose}

III-12

H3C-CH2-CO-CH=O

III-12, III-13

HOCH2-(CHOH)2-CH=O

II.A-5, III-12

H3C-(CH2)2-CO-NH2

XIII-1

XIII-1
XI-2, XIII-1
XII-2
XII-2

{NDBA}

1331.

626-23-3

0

1

0

2-Butanamine, N-(1-methylpropyl)-

1332.

106-97-8

1

0

0

Butane

1333.

75-83-2

1

0

0

1

0

0

1334.

Chapter
Table

Selected structures

[H3C- (CH2)3]2=N-NO

XII-2, XV-8
XII-2
XII-2, XV-8
XII-2
XII-2, XV-8

XII-2
H3C-(CH2)2-CH3

1.A-10

Butane, 2,2-dimethyl-

(H3C)3≡C-CH2-CH3

1.A-10

Butane, methyl-

C4H9-CH3

1.A-10

(H3C)2=CH-CH2-CH3

1.A-10

1335.

78-78-4

1

1

1

Butane, 2-methyl-

1336.

628-29-5

1

0

0

Butane, 1-(methylthio)-

1337.

627-05-4

1

0

0

Butane, 1-nitro-

1338.

600-24-8

1

0

0

Butane, 2-nitro-

H3C-CH2-CH(NO2)-CH3

1339.

1613-46-3

1

0

0

Butane, 1-(propylthio)-

H3C-(CH2)2-S-(CH2)3-CH3

XVIII.A-1

1340.

544-40-1

1

0

0

Butane, 1,1'-thiobis-

H3C-(CH2)3-S-(CH2)3-CH3

XVIII.A-1

1341.

638-37-9

1

0

0

Butanedial

1342.

110-14-5

1

0

0

Butanediamide

1343.

16748-73-5

0

1

0

Butanediamide, 2-amino-, (S)- {asparagine amide}

H2N-CO-CH2-CH(NH2)-CO-NH2XII-2, XIII-1

1344.

110-60-1

0

1

0

1,4-Butanediamine

H2N-(CH2)4-NH2

{butyl methyl sulfide}

H3C-S-(CH2)3-CH3

XVIII.A-1

H3C-(CH2)2-CH2-NO2

{dibutyl sulfide}
{succinaldehyde}
{succinamide}

{putrescine}

XVI-1
XVI-1

O=CH-(CH2)2-CH=O

III-12

H2N-CO-(CH2)2-CO-NH2

XIII-1

XII-2

53

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1345.

124-20-9

0

1

0

1,4-Butanediamine, N-(3-aminopropyl){spermidine}

H2N-(CH2)4-NH-(CH2)3-NH2

1346.

71-44-3

0

1

0

1,4-Butanediamine, N,N'-bis(3-aminopropyl){spermine}

H2N-(CH2)3-NH-(CH2)4-NH-(CH2)3-NH2
XII-2

1347.

15657-58-6

0

1

0

1,4-Butanediamine, 2-methyl-

H2N-(CH2)2-CH(CH3)-CH2-NH2

XII-2

1348.

14475-60-6

0

1

0

1,4-Butanediamine, N-methyl-

H2N-(CH2)4-NH-CH3

XII-2

0

1

0

1,4-Butanediamine, 3-phenylpropenoyl{cinnamoylputrescine}

1349.

Name (per CA Collective Index)

1350.

110-61-2

1

0

0

Butanedinitrile

1351.

16411-13-5

0

1

0

Butanedinitrile, 2,3-dimethyl-

1

1

1

Butanedioate, hydroxy-

1352.

Chapter
Table

Selected structures

{succinonitrile}

XII-2

V-3, XII-2
NC-(CH2)2-CN

XI-2

NC-CH(CH3)-CH(CH3)-CN

XI-2

{malate}

1353.

110-15-6

1

1

1

Butanedioic acid

1354.

121-75-5

1

1

1

Butanedioic acid, [(dimethoxyphosphinothioyl)thio]-,
diethyl ester
{Malathion®}

(H3CO)2=P=S

S

HC-COO-C2H5

H2C-COO-C2H5

1355.

106-65-0

1

1

1

Butanedioic acid, dimethyl ester
{dimethyl succinate}

H3C-OOC-(CH2)2-COO-CH3

1356.

6915-15-7

1

1

1

Butanedioic acid, hydroxy-

HOOC-CHOH-CH2-COOH II.A-5, IV.A-3

1357.

{succinic acid}

II.A-5, XX-6

{malic acid}

HOOC-(CH2)2-COOH

IV.A-3
V-3, XVIII.A-1,
XXI-3

V-3

14

1

1

1

Butanedioic acid, hydroxy-, labeled with C
{malic acid-14C}

XXV-29

1358.

1587-15-1

1

0

0

Butanedioic acid, hydroxy-, dimethyl ester
{dimethyl malate; malic acid dimethyl ester}

H3C-OOC-CHOH-CH2-COO-CH3
II.A-5, V-3

1359.

585-09-1

0

1

0

Butanedioic acid, hydroxy-, dipotassium salt

KOOC-CHOH-CH2-COOK

1360.

71608-04-3

1

0

0

Butanedioic acid, (hydroxymethylene)-

1361.

498-21-5

1

0

0

Butanedioic acid, methyl-

1362.

636-60-2

1

0

0

Butanedioic acid, methyl-, (±)-

1363.

97-65-4

1

1

1

Butanedioic acid, methylene-

1364.

2338-45-6

0

1

0

Butanedioic acid, (1-methylethyl)-

1365.

3878-55-5

1

0

0

Butanedioic acid, monomethyl ester

HOOC-(CH2)2-COO-CH3

1366.

328-42-7

0

1

0

Butanedioic acid, oxo-

HOOC-CO-CH2-COOH

1367.

3237-44-3

0

1

0

Butanedioic acid, 2-hydroxy-2-(1-methylethyl)-

1368.

18734-79-7

0

1

0

Butanedioic acid, 2-methyl-3-phenyl-

1369.

35392-77-9

0

1

0

Butanedioic acid, 2,3-diethyl-, (R*,R*)-(±){succinic acid, 2,3-diethyl-}

HOOC-CH(C2H5)-CH(C2H5)-COOH
HOOC-CHOH-CHOH-COOH

II.A-5, XX-6
II.A-5, IV.A-3

HOOC-CH(CH3)-CH2-COOH

IV.A-3

HOOC-C(=CH2)-CH2-COOH

IV.A-3

IV.A-3
{itaconic acid}

IV.A-3

{oxalacetic acid}

{tartaric acid}

IV.A-3, V-3
IV.A-3
II.A-5, IV.A-3
IV.A-3
IV.A-3

1370.

526-83-0

1

1

1

Butanedioic acid, 2,3-dihydroxy-

1371.

147-71-7

0

1

0

Butanedioic acid, 2,3-dihydroxy{d-tartaric acid}

II.A-5, IV.A-3

1372.

87-69-4

0

1

0

Butanedioic acid, 2,3-dihydroxy{l-tartaric acid}

II.A-5, IV.A-3

II.A-5, IV.A-3

54

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1373.

CAS No.

S

T

S
T

133-37-9

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

Butanedioic acid, 2,3-dihydroxy-

II.A-5, IV.A-3
{dl-tartaric acid}

1374.

147-73-9

0

1

0

Butanedioic acid, 2,3-dihydroxy{meso-tartaric acid}

II.A-5, IV.A-3

1375.

921-53-9

0

1

0

Butanedioic acid, 2,3-dihydroxy- [R-(R*,R*)]-,
dipotassium salt

II.A-5, XX-6

1376.

13545-04-5

0

1

0

Butanedioic acid, 2,3-dimethyl{succinic acid, 2,3-dimethyl-}

1377.

52642-07-6

1

0

0

Butanediol, monoacetate

1378.

107-88-0

1

1

1

1,3-Butanediol

{1,3-butylene glycol}

1379.

110-63-4

0

1

0

1,4-Butanediol

{tetramethylene glycol}

1380.

513-85-9

1

1

1

2,3-Butanediol

1381.

5341-95-7

1

0

0

2,3-Butanediol, (R*,S*)-

HOOC-CH(CH3)-CH(CH3)-COOH IV.A-3
II.A-5, V-3

{diacetyl; biacetyl}

H3C-CHOH-CH2-CH2OH

II.A-5

HOCH2-(CH2) 2-CH2OH

II.A-5

H3C-CHOH-CHOH-CH3

II.A-5

H3C-CO-CO-CH3

II.A-5
III-13

1382.

431-03-8
29350-67-2

1

1

1

2,3-Butanedione

1383.

109-74-0

1

0

0

Butanenitrile

H3C-(CH2) 2-CN

1384.

13989-82-7

1

0

0

Butanenitrile, 4-(dimethylamino)-

(H3C)2=N-(CH2)3-CN

XI-2, XII-2

1385.

4476-02-2

1

0

0

Butanenitrile, 2-hydroxy-

H3C-CH2-CHOH-CN

II.A-5, XI-2

1386.

15344-34-0

1

0

0

Butanenitrile, 2-hydroxy-3-methyl-

(H3C)2=CH-CHOH-CN

II.A-5, XI-2

1387.

18937-17-9

1

0

0

Butanenitrile, 2-methyl-

H3C-CH2-CH(CH3)-CN

XI-2

1388.

625-28-5

1

1

1

Butanenitrile, 3-methyl-

(H3C)2=CH-CH2-CN

XI-2

1389.

149-32-6

1

1

1

1,2,3,4-Butanetetrol, (R*,S*)- {erythritol}

HOCH2-(CHOH) 2-CH2OH

1390.

68510-02-1

0

1

0

1,2,3,4-Butanetetrol, 1-[5-(2,3,4trihydroxybutyl)pyrazinyl]{2,5-deoxyfructosazine}

N

68510-03-2

0

1

0

1,2,3,4-Butanetetrol, 1-[6-(2,3,4trihydroxybutyl)pyrazinyl]{2,6-deoxyfructosazine}

II.A-5,
XVII.B-2

R

N
R = HOCH2-(CHOH) 2-

II.A-5,
XVII.B-2

OH
R

N
R
N

R = HOCH2-(CHOH)2-

1392.

109-79-5

1

0

0

1-Butanethiol

H3C-(CH2)3-SH

XVIII.A-1

1393.

541-31-1

1

0

0

1-Butanethiol, 3-methyl-

(H3C)2=CH-(CH2)2-SH

XVIII.A-1

1394.

513-53-1

1

0

0

2-Butanethiol

H3C-CH2-CH(SH)-CH3

XVIII.A-1

1395.

4435-50-1

1

0

0

1,2,3-Butanetriol

1396.

3068-00-6

0

1

0

1,2,4-Butanetriol

1

1

1

Butanimine

107-92-6

1

1

1

Butanoic acid

1397.
1398.

{butyl mercaptan}

II.A-5

R

OH

1391.

XI-2

{1-methylglycerol}

{butyric acid}

H3C-CHOH-CHOH-CH2OH

II.A-5

H2COH-CHOH-CH2-CH2OH

II.A-5

H3C-(CH2)2-CH=NH

XII-2

H3C-(CH2)2-COOH

IV.A-3

1399.

109-21-7

0

1

0

Butanoic acid, butyl ester

1400.

10094-34-5

0

1

0

Butanoic acid, 1,1-dimethyl-2-phenylethyl ester

H3C-(CH2) 2-COO-(CH2)3-CH3

V-3

1401.

106-29-6

0

1

0

Butanoic acid, 3,7-dimethyl-2,6-octadien-1-yl ester
{geranyl butyrate}

V-3

1402.

105-54-4

1

1

1

Butanoic acid, ethyl ester

1403.

26912-31-2

0

1

0

Butanoic acid, hexenyl ester

{ethyl butyrate}

V-3

H3C-(CH2)2-COO-C2H5

V-3

H3C-(CH2)2-COO-(CH2)4-n-CH=CH-(CH2)n-H
V-3

55

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1404.

623-42-7

0

1

0

Butanoic acid, methyl ester

1405.

5398-90-2

0

1

0

Butanoic acid, 2-methylpropyl ester

1406.

540-18-1

0

1

0

1407.

103-37-7

1

1

1408.

80-60-4

1

1409.

7004-04-8

1

1410.

454-41-1

1411.

1118-85-0
3226-65-1

1412.
1413.
1414.
1415.

Name (per CA Collective Index)

Chapter
Table

Selected structures
H3C-(CH2)2-COO-CH3

V-3

Butanoic acid, pentyl ester

H3C-(CH2)2-COO-(CH2)4-CH3

V-3

1

Butanoic acid, phenylmethyl ester
{benzyl butyrate}

H3C-(CH2) 2-COO-CH2-C6H5

V-3

1

1

Butanoic acid, 2-amino-

H3C-CH2-CH(NH2)-COOH

1

1

Butanoic acid, 2-amino-3-hydroxy-

H3C-CHOH-CH(NH2)-COOH
II.A-5, IV.A-3, XII-2

0

1

0

Butanoic acid, 2-amino-4-(methylsulfinyl)-

0

1

0

Butanoic acid, 2-amino-4-(methylsulfonyl){methionine sulfone; methionine S-oxide}

2338-03-6

0

1

0

Butanoic acid, 2-amino-4-oxo-, (S)-

14287-61-7

0

1

0

Butanoic acid, 2,3-dimethyl(H3C)2=CH-CH(CH3)-COOH

141-16-2

0

1

0

Butanoic acid, 3,7-dimethyl-6-octenyl ester
{citronellyl butyrate}

88-09-5

1

1

1

Butanoic acid, 2-ethyl-

1416.

565-70-8

1

1

1

1417.

3739-30-8

0

1

0

1418.

4026-18-0

1

1

1419.

116-53-0

1

V-3

IV.A-3, XII-2

IV.A-3, XII-2, XVIII.A-1
H3C-SO-(CH2)2-CH(NH2)-COOH
IV.A-3, XII-2, XVIII.A-1
IV.A-3, XII-2
IV.A-3

{diethylacetic acid}

V-3
(H3C-CH2)2=CH-COOH

IV.A-3

Butanoic acid, 2-hydroxy-

H3C-CH2-CHOH-COOH

II.A-5, IV.A-3

Butanoic acid, 2-hydroxy-2-methyl-

H3C-CH2-C(CH3)(OH)-COOH
II.A-5, IV.A-3

1

Butanoic acid, 2-hydroxy-3-methyl-

H3C-CH(CH3)-CHOH-COOH
II.A-5, IV.A-3

1

1

Butanoic acid, 2-methyl-

H3C-CH2-CH(CH3)-COOH

{2-methylbutyric acid}

IV.A-3

1420.

7452-79-1

0

1

0

Butanoic acid, 2-methyl-, ethyl ester

H3C-CH2-CH(CH3)-COO-CH2-CH3

1421.

10032-15-2

0

1

0

Butanoic acid, 2-methyl-, hexyl ester

H3C-CH2-CH(CH3)-COO-(CH2)5-CH3 V-3

V-3

1422.

868-57-5

H3C-CH2-CH(CH3)-COO-CH3

0

1

0

Butanoic acid, 2-methyl-, methyl ester

1423.

0

1

0

Butanoic acid, 2-methyl-, 2-methylbutyl ester

1424.

0

1

0

Butanoic acid, 2-methyl-, 3-methylbutyl ester

V-3

1425.

0

1

0

Butanoic acid, 2-methyl-, 2-methylpropyl ester

V-3

1426.

0

1

0

Butanoic acid, 2-methyl-, 2-phenylethyl ester

V-3

1427.

600-18-0

1

1

1

Butanoic acid, 2-oxo-

1428.

78986-08-0

0

1

0

Butanoic acid, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-2cyclohexen-1-yl ester

0

1

0

Butanoic acid, 3-amino-

1429.

V-3
V-3

H3C-CH2-CO-COOH

III-13, IV.A-3
III-13, V-3

H3C-CH(NH2)-CH2-COOH

IV.A-3, XII-2

1430.

1070-83-3

0

1

0

Butanoic acid, 3,3-dimethyl-

(H3C)3≡C-CH2-COOH

1431.

300-85-6

1

0

0

Butanoic acid, 3-hydroxy-

H3C-CHOH-CH2-COOH

1432.

625-08-1

0

1

0

Butanoic acid, 3-hydroxy-3-methyl-

H3C-C(CH3)(OH)-CH2-COOH
II.A-5, IV.A-3

1433.

503-74-2

1

1

1

Butanoic acid, 3-methyl-

(H3C)2=CH-CH2-COOH

{isovaleric acid}

IV.A-3
II.A-5, IV.A-3

IV.A-3

1434.

109-19-3

0

1

0

Butanoic acid, 3-methyl-, butyl ester;

V-3

1435.

1009-20-6

0

1

0

Butanoic acid, 3-methyl-, 3,7-dimethyl-2,6octadieny-1-yl ester

V-3

56

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1436.

CAS No.

S

T

S
T

76-50-6

0

1

0

Butanoic acid, 3-methyl-, 1,7,7trimethylbicyclo[2.2.1]hept-2-yl ester, endo{bornyl isovalerate}

V-3

0

1

0

Butanoic acid, 3-methyl-, 2-methylbutyl ester

V-3

1437.

Name (per CA Collective Index)

Chapter
Table

Selected structures

1438.

78-35-3

0

1

0

Butanoic acid, 3-methyl-, 3,7-dimethyl-1,6-octadien6-yl ester
{linalyl isobutyrate}

V-3

1439.

16409-46-4

0

1

0

Butanoic acid, 3-methyl-, 5-methyl-2-(1methylethyl)-cyclohexanyl ester
{menthyl isovalerate}

V-3

1440.

55066-56-3

1

1

1

Butanoic acid, 3-methyl-, 4-methylphenyl ester

V-3

0

1

0

Butanoic acid, 3-methyl-, 2-methylpropyl ester

V-3
V-3

1441.
1442.

140-26-1

1

1

1

Butanoic acid, 3-methyl-, 2-phenylethyl ester
{phenethyl isovalerate}

1443.

108-64-5

1

1

1

Butanoic acid, 3-methyl-, ethyl ester
{ethyl isovalerate}

(H3C)2=CH-CH2-COO-C2H5

V-3

1444.

556-24-1

0

1

0

Butanoic acid, 3-methyl-, methyl ester
{methyl isovalerate}

(H3C)2=CH-CH2-COO-CH3

V-3

1445.

659-70-1

1

1

1

Butanoic acid, 3-methyl-, 3-methylbutyl ester
{isoamyl isovalerate}

V-3

1446.

103-38-8

0

1

0

Butanoic acid, 3-methyl-, phenylmethyl ester
{benzyl isovalerate}

V-3

1447.

140-27-2

1

1

1

Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester

V-3

1448.

106-27-4

0

1

0

Butanoic acid, 3-methylbutyl ester

1449.

541-50-4

0

1

0

Butanoic acid, 3-oxo-

1450.

56-12-2

1

1

1

61445-55-4
133201-39-5

1

1

1

1

0

0

Butanoic acid, 4-(methylnitrosoamino)-, methyl ester

H3C-N(NO)-(CH2)3-COOCH3

1453.

583-92-6

0

1

0

Butanoic acid, 4-(methylthio)-2-oxo-

H3C-S-(CH2)2-CO-COOH
III-13, IV.A-3, XVIII.A-1

1454.

54344-76-2

0

1

0

Butanoic acid, 4-(2,6,6-trimethylcyclohexen-1-yl)-

IV.A-3

1455.

462-10-2

0

1

0

Butanoic acid, 4,4'-dithiobis[2-amino{homocystine}

[S-(CH2)2-CH(NH2)-COOH]2
IV.A-3, XII-2, XVIII-1

1456.

71-36-3

1

1

1

1-Butanol

H3C-(CH2)2-CH2OH

1457.

20281-85-0

0

1

0

1-Butanol, 2,3-dimethyl-

0

1

0

1-Butanol, 2-ethoxy-

II.A-5, X-2

91599-03-0

0

1

0

1-Butanol, 4-[(7-β-D-glucopyranosyl-7H-purin-6yl)amino]-2-methyl-

II.A-5, X-2

1460.

137-32-6

1

1

1

1-Butanol, 2-methyl-

II.A-5

1461.

23599-75-9

1

1

1

1-Butanol, 2-methyl-4-(1H-purin-6-ylamino)-

II.A-5

1462.

123-51-3

1

1

1

1-Butanol, 3-methyl-

{isoamyl alcohol}

II.A-5

1463.

94-46-2

1

1

1

1-Butanol, 3-methyl-, benzoate {isoamyl benzoate}

V-3

0

1

0

1-Butanol, 4-(methylnitrosoamino)-1-(3-pyridinyl){NNAL}

II.A-5, XII-2, XV-8, XVII.B-2

1451.
1452.

1458.
1459.

1464.

V-3
H3C-CO-CH2-COOH

III-13, IV.A-3

Butanoic acid, 4-amino-

H2N-(CH2)3-COOH

IV.A-3, XII-2

Butanoic acid, 4-(methylnitrosoamino)- =
Butanoic acid, 4-[(nitrosomethyl)amino]- {NMBA}

H3C-N(NO)-(CH2)3-COOH

IV.A-3, XV-8

1465.

78-92-2

1

1

1

2-Butanol

1466.

6291-17-4

1

0

0

2-Butanol, 3-amino-2-methyl-

{acetoacetic acid}

{n-butyl alcohol}

V-3, XV-8

II.A-5
II.A-5

{sec-butyl alcohol}

H3C-CH2-CHOH-CH3

II.A-5
II.A-5, XII-2

57

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1467.

155728-85-1

0

1

0

2-Butanol, 1-(4-bromophenoxy)-3[(phenylmethyl)amino]-, (R*,R*)-

1468.

75-85-4

1

0

0

2-Butanol, 2-methyl-

II.A-5

0

1

0

2-Butanol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

II.A-5

1469.

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, XII-2, XVIII.B-3

1470.

35734-62-4

1

0

0

1-Butanone, 1-(4-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl)-

II.A-5, III-13

1471.

51769-21-2

0

1

0

1-Butanone, 1-(4-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl)-, (±)-

II.A-5, III-13

1472.

495-40-9

1

0

0

1-Butanone, 1-phenyl-

1473.

61892-81-7

1

0

0

1-Butanone, 1-pyrazinyl-

1474.

1701-70-8

1

1

1

1-Butanone, 1-(3-pyridinyl)-

H3C-(CH2)2-CO-C6H5

III-13
III-13, XVII.B-2
III-13, XVII.B-2

{propyl pyridyl ketone}
1475.

0

1

0

1-Butanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

1476.

28384-26-1

1

0

0

1-Butanone, 1-(methyl-2-pyridinyl)-

III-13, XVII.B-2

1477.

1

0

0

1-Butanone, 1-(2-pyridinyl)-

III-13, XVII.B-2

1478.

1

0

0

1-Butanone, 1-(3-methyl-2-pyridinyl)-

III-13, XVII.B-2

1479.

III-13

1

0

0

1-Butanone, 1-(4-methyl-2-pyridinyl)-

III-13, XVII.B-2

1480.

78210-70-5

1

0

0

1-Butanone, 2-methyl-1-(3-pyridinyl)-

III-13, XVII.B-2

1481.

68697-66-5

0

1

0

1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3cyclohexadien-1-yl)-

III-13, XVIII.A-1

0

1

0

1-Butanone, 3-(methylthio)-1-(2,6,6trimethylcyclohexenyl)-

III-13, XVIII.A-1

1482.
1483.

71278-11-0

1

1

1

1-Butanone, 4-amino-1-(3-pyridinyl)-

1484.

59578-62-0

0

1

0

1-Butanone, 4-hydroxy-1-(3-pyridinyl)-

{poikiline}

II.A-5, III-13, XVII.B-2

III-13, XVII.B-2

1485.

0

1

0

1-Butanone, 4-(methylamino)-1-(2.6-dihydroxy-3pyridinyl)-

II.A-5, III-13, XVII.B-2

1486.

0

1

0

1-Butanone, 4-(methylamino)-1-(6-hydroxypyridinyl)-

II.A-5, III-13, XVII.B-2
III-13, XII-2, XVII.B-2

1487.

2055-23-4

0

1

0

1-Butanone, 4-(methylamino)-1-(3-pyridinyl)-

1488.

64091-91-4
121268-99-3
26165-82-0

1

1

1

1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl){NNK}
{1-Butanone, 4-[(nitrosomethyl)amino]-1-(3pyridinyl)-}

III-13, XII-2, XV-8, XVII.B-2

1489.

76014-82-9

0

1

0

1-Butanone, 4-(methylnitrosoamino)-1-(3-pyridinyl)-,
N-oxide

III-13, XII-2, XV-8, XVII.B-2

1490.

78-93-3

1

1

1

2-Butanone

1491.

1575-57-1

1

1

1

2-Butanone, 1-(acetyloxy)-

1492.

43121-43-3

0

1

0

2-Butanone, 1-(4-chlorophenoxy)-3,3-dimethyl-1(1,2,4-triazol-1-yl)
{Triadimefon®}

1493.

5077-67-8

1

1

1

2-Butanone, 1-hydroxy-

{methyl ethyl ketone}

H3C-CO-CH2-CH3

III-13

H3C-CH2-CO-CH2-OOC-CH3

III-13, V-3

X-2, XVII.A-4, XXI-3

H3C-CH2-CO-CH2OH

II.A-5, III-13

58

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1007-32-5

1

0

0

2-Butanone, 1-phenyl-

1495.

75-97-8

1

0

0

2-Butanone, 3,3-dimethyl-

1496.

57011-15-1

1

0

0

2-Butanone, 3,4-dihydroxy-

1497.

513-86-0

1

1

1

2-Butanone, 3-hydroxy-

1498.

563-80-4

1

1

1

2-Butanone, 3-methyl-

1499.

53872-97-2

1

0

0

2-Butanone, 3-methyl-1-(3-pyridinyl)-

1500.

10150-87-5

1

0

0

2-Butanone, 4-(acetyloxy)-

1501.

10266-75-8

0

1

0

2-Butanone, 4-(decahydro-5,5,8a-trimethyl-2methylene-1-naphthalenyl)-, [1S-(1α,4aβ,8aα)]-

1494.

Name (per CA Collective Index)

Chapter
Table

Selected structures
C6H5-CH2-CO-CH2-CH3

III-13

H3C-CO-CHOH-CH2OH

II.A-5, III-13

H3C-CO-CHOH-CH3

II.A-5, III-13

H3C-CO-CH=(CH3)2

III-13

III-13

{acetoin}

III-13, XVII.B-2
H3C-CO-CH2-CH2-OOC-CH3
H3C

III-13, V-3
III-13

O

H3C
CH2

H3C

CH3

1502.

590-90-9

1

1

1

2-Butanone, 4-hydroxy-

H3C-CO-CH2-CH2OH

II.A-5, III-13

1503.

1823-90-1

1

0

0

2-Butanone, 4-hydroxy-3,3-dimethyl-

H3C-CO-C(CH3)2-CH2OH

II.A-5, III-13

1504.

104-20-1

0

1

0

2-Butanone, 4-(4-methoxyphenyl)-

1505.

34047-39-7

1

1

1

2-Butanone, 4-(methylthio)-

1506.

2550-26-7

1

0

0

2-Butanone, 4-phenyl-

1507.

50767-77-6

0

1

0

2-Butanone, 4-(2-ethenyl-2,6,6-trimethylcyclohexyl)-

1508.

60761-23-1

0

1

0

2-Butanone, 4-(2,2,6-trimethylcyclohexyl)-, cis{tetrahydroionone}

III-13, X-2
III-13, XVIII.A-1
H3C-CO-(CH2)2-C6H5

III-13
III-13
III-13

O
H3 C

CH3
CH3
CH3

1509.

58720-40-4

0

1

0

2-Butanone, 4-(2,3,6-trimethylphenyl)-

III-13

1510.

20483-36-7

0

1

0

2-Butanone, 4-(2,6,6-trimethyl-1,3-cyclohexadien-1yl)-

III-13

1511.

14506-65-1

0

1

0

2-Butanone, 4-(3,4,4a,5,6,7,8,8a-octahydro2,5,5,8a-tetramethyl-1-naphthalenyl)-, (4aS-trans)-

III-13

CH3
H3C
O
CH3
H3C

CH3

1512.

158815-72-6

0

1

0

2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3(1-methylethyl)-1,2-dioxin-3-yl]-, (E)-

II.A-3, III-13, X-2

1513.

158815-73-7

0

1

0

2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3(1-methylethyl)-1,2-dioxin-3-yl]-, (Z)-

II.A-3, III-13, X-2

1514.

160115-51-5

0

1

0

2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3(1-methylethyl)-1,2-dioxin-3-yl]-, (E)- (+)-

II.A-3, III-13, X-2

1515.

160115-52-6

0

1

0

2-Butanone, 4-[3,6-dihydro-6-hydroxy-6-methyl-3(1-methylethyl)-1,2-dioxin-3-yl]-, (Z)- (-)-

II.A-3, III-13, X-2

0

1

0

2-Butanone, 4-[5,6-dihydro-3-methyl-6-(1methylethyl)-pyran-2-yl]

1516.

III-13, IX.A-22

1517.

5471-51-2

1

1

1

2-Butanone, 4-(4-hydroxyphenyl){4-(p-hydroxyphenyl)-2-butanone}

III-13, X-2

1518.

13679-56-6

1

1

1

2-Butanone, 4-(5-methyl-2-furanyl)-

III-13, X-2

0

1

0

2-Butanone, 4-(2-methyl-5-(1-methylethyl)-2furanyl)-

III-13, X-2

1519.

59

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
S

T

S
T

1520.

0

1

0

2-Butanone, 4-(2-methyl-6-(1-methylethyl)-2tetrahydropyranyl)-

1521.

0

1

0

2-Butanone, 4-(4,5-dihydro-3-methylene-6dimethylmethylene-2-pyranyl)-

CAS No.

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13, X-2
III-13, X-2

CH2

H3C

C

O

CH2CH2-CO-CH

CH3

1522.

4170-30-3

1

1

1

2-Butenal

{crotonaldehyde}

1523.

1115-11-3

1

1

1

2-Butenal, 2-methyl-

1524.

107-86-8

1

0

0

2-Butenal, 3-methyl-

1525.

83841-47-8

0

1

0

2-Butenal, 4-(decahydro-2-hydroxy-2,5,5,8atetramethyl-1-naphthalenyl)-2-methyl-, [1R[1α(E),2β,4aβ,8aα]]-

{senecialdehyde}

H3C-CH=CH-CH=O

III-12

H3C-CH=C(CH3)-CH=O

III-12

H3C-C(CH3)=CH-CH=O
H3C

II.A-5, III-12

CH=O

H3C

CH3

OH

H3C

CH3

1526.

7319-38-2

1

0

0

3-Butenal

1527.

625-37-6
23350-58-5

1

0

0

2-Butenamide, (E)-

1

0

0

2-Butenamide, (Z)-

XIII-1

1528.

{crotonamide}

H2C=CH-CH2-CH=O

III-12

H3C-CH=CH-CO-NH2

XIII-1

1529.

72693-06-2

1

0

0

2-Butenamide, N,2-dimethyl-

XIII-1

1530.

32793-37-6

1

0

0

2-Butenamide, 2-methyl-

XIII-1

1531.

28446-58-4

1

0

0

3-Butenamide

1532.

18938-03-9

1

0

0

3-Butenamide, 3-methyl-

1533.

692-31-9

1

0

0

2-Buten-1-amine, N,N-dimethyl-

1534.

2524-49-4

1

0

0

3-Buten-1-amine

1535.

20173-36-8

1

0

0

3-Buten-1-amine, N,N-dimethyl-4-(3-pyridinyl)-

1536.

538-79-4

1

1

1

3-Buten-1-amine, N-methyl-4-(3-pyridinyl){metanicotine}

H2C=CH-CH2-CO-NH2

XIII-1
XIII-1
XII-2

H2C=CH-CH2-CH2-NH2

XII-2
XII-2, XVII.B-2

NH-CH3

XII-2, XVII.B-2

N

1537.

1

0

0

Butene

I.B-1

1538.

1

0

0

Butene, methyl-

I.B-1

1539.

106-98-9

1

0

0

1-Butene

H2C=CH-CH2-CH3

I.B-1

1540.

563-78-0

1

1

1

1-Butene, 2,3-dimethyl-

H2C=C(CH3)-CH=(CH3)2

I.B-1

1541.

558-37-2

1

0

0

1-Butene, 3,3-dimethyl-

H2C=CH-C≡(CH3)3

I.B-1

1542.

563-46-2

1

0

0

1-Butene, 2-methyl-

H2C=C(CH3)-CH2-CH3

I.B-1

1543.

563-45-1

1

0

0

1-Butene, 3-methyl-

H2C=CH-CH=(CH3)2

I.B-1

1544.

107-01-7

1

0

0

2-Butene

H3C-CH=CH-CH3

I.B-1

1545.

624-64-6

1

0

0

2-Butene, (E)

H3C
C

C

H

1546.

590-18-1

1

0

0

2-Butene, (Z)-

CH3

H3C

I.B-1

CH3
C

H

I.B-1

H

C
H

60

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

563-79-1

1

0

0

2-Butene, 2,3-dimethyl-

1548.

513-35-9

1

0

0

2-Butene, 2-methyl-

(H3C)2=C=CH-CH3

1549.

6915-18-0

0

1

0

2-Butenedioic acid

HOOC-CH=CH-COOH

1550.

110-17-8

1

1

1

2-Butenedioic acid (E)-

1547.

Name (per CA Collective Index)

(H3C)2=C=C=(CH3)2

{fumaric acid}

1

1

1

2-Butenedioic acid (Z)-

{maleic acid}

I.B-1
IV.A-3
IV.A-3

C

H

110-16-7

I.B-1

H

HOOC
C

1551.

Chapter
Table

Selected structures

COOH

HOOC

IV.A-3

COOH
C

C

H

H

1552.

623-91-6

0

1

0

2-Butenedioic acid (E)-, diethyl ester
{diethyl fumarate}

V-3

1553.

141-05-9

1

0

0

2-Butenedioic acid (Z)-, diethyl ester
{diethyl maleate}

V-3

1554.

21788-49-8

0

1

0

2-Butenedioic acid, 2,3-dimethyl-, (E)-

HOOC
C

H3C

1555.

488-21-1

0

1

0

2-Butenedioic acid, 2,3-dimethyl-, (Z)-

COOH

HOOC
C

CH3

H3C

624-48-6

1

0

0

2-Butenedioic acid (Z)-, dimethyl ester

1557.

28098-80-8

0

1

0

2-Butenedioic acid, 2-ethyl-3-methyl-, (E)-

V-3
C

H3C

41654-09-5

0

1

0

2-Butenedioic acid, 2-ethyl-3-methyl-, (Z)-

COOH

C

H3C

498-24-8

1

0

0

2-Butenedioic acid, 2-methyl-, (E){mesaconic acid}

C2H5

498-23-7

1

1

1

2-Butenedioic acid, 2-methyl-, (Z)-

C

C
COOH

C

C

H3C

1561.

497-06-3

1

0

0

3-Butene-1,2-diol

1562.

4786-20-3

1

0

0

2-Butenenitrile

1

0

0

2-Butenenitrile, 3-methyl-

109-75-1

1

0

0

3-Butenenitrile

1

0

0

3-Butenenitrile, 3-methyl-

1563.
1564.
1565.
1566.

3724-65-0

1

1

1

2-Butenoic acid

1567.

107-93-7

1

1

1

2-Butenoic acid, (E)-

H

HOCH2-CHOH-CH=CH2

503-64-0

1

0

0

2-Butenoic acid, (Z)-

II.A-5

{crotononitrile}

H3C-CH=CH-CN

XI-2

{allyl cyanide}

H2C=CH-CH2-CN

XI-2

XI-2

XI-2
{crotonic acid}
{trans-crotonic acid}

H3C-CH=CH-COOH
H

{cis-crotonic acid}

IV.A-3

C

H3C

H

H3 C

COOH
C

H

IV.A-3

COOH
C

1568.

IV.A-3

COOH

HOOC

{citraconic acid}

IV.A-3

H

HOOC

H3C

1560.

IV.A-3

COOH

HOOC
C

1559.

IV.A-3

C2H5

HOOC
C

1558.

IV.A-3

COOH
C

1556.

IV.A-3

CH3
C

IV.A-3

C
H

61

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1569.

CAS No.

S

T

S
T

10544-63-5

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

2-Butenoic acid (E)-, ethyl ester

V-3
{ethyl crotonate}

1570.

18707-60-3

0

1

0

2-Butenoic acid, methyl ester

1571.

13201-46-2

1

1

1

2-Butenoic acid, 2-methyl-, (Z)-

{angelic acid}

H3C-CH=CH-COO-CH3

IV.A-3

1572.

80-59-1

1

1

1

2-Butenoic acid, 2-methyl-, (E)-

{tiglic acid}

IV.A-3

1573.

37526-88-8

0

1

0

2-Butenoic acid, 2-methyl-, phenylmethyl ester
{benzyl tiglate}

V-3

1574.

39300-45-3

0

1

0

2-Butenoic acid, 2-(1-methylheptyl)-4,6dinitrophenyl ester
{Dinocap®}

V-3, XVI-1, XXI-3

1575.

7786-34-7

0

1

0

2-Butenoic acid, 3[(dimethoxyphosphinyl)oxy]-,
methyl ester
{Mevinphos®; Phosdrin®)}

H3CO

V-3,
XXI-3

O
COOCH3

P
H3CO

V-3

O

CH3

1576.

541-47-9

1

1

1

2-Butenoic acid, 3-methyl-

IV.A-3

1577.

32040-41-8

0

1

0

2-Butenoic acid, 4-(formylamino)-4-oxo-, (Z)-

O=CH-NH-CO-CH=CH-COOH

1578.

625-38-7

1

0

0

3-Butenoic acid

H2C=CH-CH2-COOH

1579.

1617-31-8

1

1

1

3-Butenoic acid, 3-methyl-

1580.

2243-53-0

1

1

1

3-Butenoic acid, 4-phenyl-

1581.

43000-45-9

1

1

1

1-Buten-1-ol, 3-methyl-

II.A-5

1582.

4675-87-0

0

1

0

2-Buten-1-ol, 2-methyl-

II.A-5

1583.

556-82-1

0

1

0

2-Buten-1-ol, 3-methyl-

II.A-5

1584.

1637-39-4

0

1

0

2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-, (E)-

II.A-5, XII-2

0

1

0

2-Buten-1-ol, 2-methyl-4-(1H-purin-6ylaminoribosyl)-

II.A-5, XII-2

IV.A-3, XIII-1

1585.

IV.A-3
IV.A-3

{styrylacetic acid}

IV.A-3

1586.

29736-33-2

0

1

0

2-Buten-1-ol, 2-methyl-4-[[2-(methylthio)-1H-purin6-yl]amino]-, (E)-

1587.

72074-11-4

0

1

0

2-Buten-1-ol, 3-(dodecahydro-3a,6,6,9atetramethylnaphtho[2,1-b]furan-2-yl)-, [2S[2α(E),3aα,5aβ,9aα,9bβ]]-

II.A-5, XII-2

1588.

87584-34-7

0

1

0

2-Buten-1-ol, 3-(dodecahydro-3a,6,6,9atetramethylnaphtho[2,1-b]furan-2-yl)-, [2R[2α(E),3aβ,5aα,9aβ,9bα]]-

II.A-5, XII-2

1589.

627-27-0

1

0

0

3-Buten-1-ol

H2C=CH-CH2-CH2OH

II.A-5

1590.

115-18-4

1

0

0

3-Buten-2-ol, 2-methyl-

H2C=CH-CHOH=(CH3)2

II.A-5

0

1

0

3-Buten-2-ol, 4-phenyl-

C6H5-CH=CH-CHOH-CH3

II.A-5

13215-89-9

0

1

0

3-Buten-2-ol, 4-(2,6,6-trimethyl-1,3-cyclohexadien1-yl)-

1593.

1

1

1

3-Buten-2-ol, 4-(3-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl){3-hydroxy-β-ionol}

II.A-5

1594.

0

1

0

3-Buten-2-ol, 4-(4-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl){4-hydroxy-β-ionol}

II.A-5

0

1

0

3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl){β-ionol}

1591.
1592.

1595.

27008-60-2
22029-76-1

II.A-5, XII-2, XVIII.A-1

II.A-5

OH

II.A-5

OH

62

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1596.

472-78-6

0

1

0

3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl){α-ionol}

1597.

79925-80-7

0

1

0

3-Buten-2-ol, 4-(6,6-dimethyl-2-methylene-3cyclohexen-1-yl)-

1598.

54345-38-9

0

1

0

2-Buten-1-one, 1-(2,3,6-trimethylphenyl)-, (E)-

1599.

23726-93-4
23696-85-7

1

1

1

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3cyclohexadien-1-yl)-, (E){β-damascenone}

0

1

0

2-Buten-1-one, 1-(2,6,6-trimethyl-1,3cyclohexadien-1-yl){β-damascenone isomer}

III-13

1600.

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5

OH

II.A-5
III-13
III-13

O

1601.

80111-68-8
23770-92-3
35044-68-9

1

1

1

2-Buten-1-one, 1-(2,6,6-trimethylcyclohexenyl){damascone}

III-13

1602.

23726-91-2

1

1

1

2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1yl)-, (E)-

III-13

1603.

23726-92-3
85949-43-5

1

1

1

2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1yl)-, (Z){β-damascone}

1604.

102488-09-5

1

1

1

2-Buten-1-one, 1-(3-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl){3-hydroxy-β-damascone}

1605.

80508-24-3

1

0

0

2-Buten-1-one, 1-(3-pyridinyl)-

0

1

0

2-Buten-1-one, 1-(4-hydroxy-2,6,6trimethycyclohexanyl){4-hydroxydihydro-β-damascone}

1

1

1

2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl){4-hydroxy-β-damascone}

1606.

III-13

O

III-13
III-13, XVII.B-2
O

III-13

O

III-13

HO

1607.

56915-02-7

HO

1608.

35734-61-3

1

1

1

2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl)-, (E)-

II.A-5, III-13

1609.

160550-79-8

0

1

0

2-Buten-1-one, 1-(4-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl)-, [R-(E)]-

II.A-5, III-13

1610.

87562-12-7

0

1

0

2-Buten-1-one, 1-[3-(formyloxy)-2,6,6-trimethyl-1cyclohexen-1-yl]-, (E)-

III-13, V-3

1611.

62512-25-8

0

1

0

2-Buten-1-one, 1-[4-(β-D-glucopyranosyloxy)-2,6,6trimethyl-1-cyclohexen-1-yl]-

II.A-5, III-13, X-2

1612.

160550-77-6

0

1

0

2-Buten-1-one, 1-[4-(β-D-glucopyranosyloxy)-2,6,6trimethyl-1-cyclohexen-1-yl]-, [R-(E)]-

II.A-5, III-13, X-2

1613.

495-45-4

0

1

0

2-Buten-1-one, 1,3-diphenyl-

1614.

78-94-4

1

1

1

3-Buten-2-one

1615.

814-78-8

1

0

0

3-Buten-2-one, 3-methyl-

1616.

125-51-5

0

1

0

3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2cyclohexen-1-yl){α-isomethylionone}

1617.

73892-47-4

0

1

0

3-Buten-2-one, 4-[3-(acetyloxy)-2,6,6-trimethyl-1cyclohexen-1-yl]-,[R-(E)]-

{methyl vinyl ketone}

III-13
H2C=CH-CO-CH3

III-13

H2C=C(CH3)-CO-CH3

III-13
III-13
III-13, V-3

63

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1618.

CAS No.

S

T

S
T

50281-40-8

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

3-Buten-2-one, 4-[4-(acetyloxy)-2,2,6-trimethyl-7oxabicyclo[4.1.0]hept-1-yl]-, [1R-[1α(E),4β,6α]]-

III-13, V-3, X-2

O
H3C

CH3
CH3
O

H3C-COO

1619.

50281-41-9

0

1

0

3-Buten-2-one, 4-[4-(acetyloxy)-2,2,6-trimethyl-7oxabicyclo[4.1.0]hept-1-yl]-, [1S-[1α(E),4α,6α]]-

1620.

42569-64-2

0

1

0

3-Buten-2-one, 4-(decahydro-2-hydroxy-2,5,5,8atetramethyl-1-naphthalenyl)-, [1R[1α(E),2β,4aβ,8aα]]-

III-13, V-3, X-2
CH3
H3C

54656-80-3

0

1

0

3-Buten-2-one, 4-(decahydro-2-hydroxy-2,5,5,8atetramethyl-1-naphthalenyl)-, [1α(E),2α,4aβ,8aα](±)-

1622.

623-15-4

1

1

1

3-Buten-2-one, 4-(2-furanyl)-

1623.

14398-34-6

0

1

0

3-Buten-2-one, 4-(3-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl)-, (E)-

1624.

61892-82-8

1

0

0

3-Buten-2-one, 4-(4-hydroxy-1-cyclohexen-1-yl)-

1625.

50281-42-0

0

1

0

3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7oxabicyclo[4.1.0]hept-1-yl)-, [1S-[1α(E),4α,6α]]-

II.A-5, III-13

OH
O
CH3

H3C

1621.

CH3

CH3

II.A-5, III-13

III-13, X-2
II.A-5, III-13
II.A-5, III-13
II.A-5, III-13, X-2

O
H3C

CH3
CH3
O

HO

1626.

61116-99-2

0

1

0

3-Buten-2-one, 4-(4-hydroxy-2,2,6-trimethyl-7oxabicyclo[4.1.0]hept-1-yl)-, [1R-[1α(E),4β,6α]]-

CH3

II.A-5, III-13, X-2

O
H3C

CH 3
CH3
O

HO

CH 3

1627.

72491-46-4

0

1

0

3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-1cyclohexen-1-yl){4-hydroxy-β-ionone}

II.A-5, III-13

1628.

38963-41-6

1

0

0

3-Buten-2-one, 4-(4-hydroxy-2,6,6-trimethyl-2cyclohexen-1-yl){4-hydroxy-α-ionone}

II.A-5, III-13

1629.

23120-57-2

1

0

0

3-Buten-2-one, 4-(5-methyl-2-furanyl)-

1630.

66434-99-9

0

1

0

3-Buten-2-one, 4-(5-methyl-2-furanyl)-, (E)-

1631.

122-57-6

1

1

1

3-Buten-2-one, 4-phenyl-

1632.

2433-57-0

1

0

0

3-Buten-2-one, 4-(1H-pyrrol-2-yl)-, (E)-

1633.

79-69-6

0

1

0

3-Buten-2-one, 4-(2,5,6,6-tetramethyl-2-cyclohexen1-yl){α-irone}

1634.

23267-57-4

0

1

0

3-Buten-2-one, 4-(2,2,6-trimethyl-7oxabicyclo[4.1.0]hept-1-yl)-

III-13, X-2
III-13, X-2
C6H5-CH=CH-CO-CH3

III-13
III-13, XVII.A-4
III-13
III-13, X-2

O
H3C

CH3
CH3
O
CH3

1635.

56681-06-2

0

1

0

3-Buten-2-one, 4-(2,3,6-trimethylphenyl)-

III-13

1636.

1203-08-3

1

1

1

3-Buten-2-one, 4-(2,6,6-trimethyl-1,3cyclohexadien-1-yl){dehydro-β-ionone}

III-13

1637.

14398-35-7

0

1

0

3-Buten-2-one, 4-(2,6,6-trimethyl-1,3cyclohexadien-1-yl)-, (E)-

III-13

64

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1638.

14901-07-6

1

1

1

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1yl){β-ionone}

1639.

79-77-6

0

1

0

3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1yl)-, (Z)-

1640.

127-41-3
8013-90-9

1

1

1

3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1yl)-, (E){α-ionone}

1641.

689-97-4

1

0

0

1-Buten-3-yne

H2C=CH-C≡CH

1642.

1

0

0

Butoxyl radical

OC4H9

1643.

1

0

0

tert-Butoxyl radical

1119-19-3

1

0

0

2-Butynal

H3C-C≡C-CH=O

III-12

1

0

0

Butyne

H-(CH2)n-C≡C-(CH2)(2-n)-H

I.B-1

107-00-6

1

0

0

1-Butyne

H3C-CH2-C ≡CH

I.B-1

1647.

503-17-3

1

1

1

2-Butyne

H3C-C≡C-CH3

I.B-1

1648.

7440-43-9

1

1

1

Cadmium

Cd

XX-5

1649.

7440-70-2

1

1

1

Calcium

Ca

XX-5

1650.

14127-61-8

0

1

0

Calcium, ion

Ca+2

XX-5

1651.

1305-78-8

0

1

0

Calcium oxide

CaO

XX-5, XX-6

1652.

15124-81-9

0

1

0

Calcium, isotope of mass 49

1653.

9064-51-1
54724-00-4

0

1

0

Callose

{1,3-β-D-glucan}

II.A-5, VIII-3

1654.

101-21-3

0

1

0

Carbamic acid, 3-chlorophenyl-, (1-methylethyl)
ester
{Chloropropham®}

XXI-3

1655.

23103-98-2

0

1

0

Carbamic acid, dimethyl-, 2-(dimethylamino)-5,6dimethyl-4-pyrimidinyl ester
{Pirimicarb®}

XXI-3, XVII.B-2, XXI-3

1656.

25606-41-1

0

1

0

Carbamic acid, 3-(dimethylamino)propyl-, propyl
ester, hydrochloride
{Propamocarb hydrochloride®}

1644.
1645.
1646.

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13

O

III-13
III-13

O

I.B-1
XXVII-1
XXVII-1

XX-5

1657.

51-79-6

1

1

1

Carbamic acid, ethyl ester

1658.

598-55-0

0

1

0

Carbamic acid, methyl ester

{urethan}

1659.

137-42-8

0

1

0

Carbamic acid, N-methyldithio-, monosodium salt
{Metham-sodium®}

1660.

594-07-0

0

1

0

Carbamodithioic acid

1661.

9006-42-2

0

1

0

Carbamodithioic acid, 1,2-ethylene(bis-, polymer
with ammonia complex of zinc ethylenebisdithiocarbamate
{Metiram®}

1662.

1114-71-2

0

1

0

Carbamothioic acid, butylethyl-, S-propyl ester
{Tillam®; Pebulate®}

V-3, XXI-3

COO-(CH2)2-CH3
HCl. HN
(CH2)3-N(CH3)2

H2N-COO-C2H5

V-3

H2N-COO-CH3

V-3
XVIII.A-1, XX-6, XXI-3

H2N-CSSH

XVIII.A-1
XXI-3

XVIII.A-1, XXI-3

H3C-(CH2)3
N-CO-S-(CH2)2-CH3
H3C-CH2

1663.

759-94-4

0

1

0

Carbamothioic acid, dipropyl-, S-ethyl ester
{EPTC®}

XVIII.A-1, XXI-3

1664.

1929-77-7

0

1

0

Carbamothioic acid, dipropyl-, S-propyl ester
{Vernolate®}

XVIII.A-1, XXI-3

65

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1665.

2303-17-5

0

1

0

Carbamothioic acid, S-(2,3,3-trichloro-2-propenyl)
bis(1-methylethyl) ester
{Triallate®}

1666.

9012-49-1

0

1

0

Carbamoyltransferase, aspartate

1

0

0

Carbazole

1

0

0

9H-Carbazole

1667.
1668.

86-74-8

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVIII.A-1, XXI-3
XXII-2
XVII.E-6

{dibenzo[b,d]pyrrole}

8

7

1

XVII.E-6

2

6
9
5

1669.
1670.

1

0

0

9H-Carbazole, alkyl-

N
H

4

XVII.E-6

1

0

0

9H-Carbazole, 9-alkyl-

4539-51-9

1

0

0

9H-Carbazole, 2-amino-

XII-2, XVII.E-6

1

0

0

9H-Carbazole, 2-amino-ethyl-

XII-2, XVII.E-6

1673.

30642-38-7

1

0

0

9H-Carbazole, dimethyl-

XVII.E-6

1674.

14171-85-8

1

0

0

9H-Carbazole, 1,9-dimethyl-

XVII.E-6

1675.

24075-47-6

1

0

0

9H-Carbazole, 2,9-dimethyl-

XVII.E-6

1676.

24075-48-7

1

0

0

9H-Carbazole, 3,9-dimethyl-

XVII.E-6

1677.

24075-49-8

1

0

0

9H-Carbazole, 4,9-dimethyl-

XVII.E-6

1678.

71277-85-5

1

0

0

9H-Carbazole, ethyl-

XVII.E-6

1679.

86-28-2

1

0

0

9H-Carbazole, 9-ethyl-

XVII.E-6

1680.

27323-29-1

1

0

0

9H-Carbazole, methyl-

XVII.E-6

1681.

6510-65-2

1

0

0

9H-Carbazole, 1-methyl-

XVII.E-6

1682.

3652-91-3

1

0

0

9H-Carbazole, 2-methyl-

XVII.E-6

1683.

4630-20-0

1

0

0

9H-Carbazole, 3-methyl-

XVII.E-6

1684.

3770-48-7

1

0

0

9H-Carbazole, 4-methyl-

XVII.E-6

1685.

1484-12-4

1

0

0

9H-Carbazole, 9-methyl-

XVII.E-6

1686.

64844-53-7

1

0

0

9H-Carbazole, tetramethyl-

XVII.E-6

1687.

64844-51-5

1

0

0

9H-Carbazole, trimethyl-

XVII.E-6

1688.

7440-44-0

1

1

1

Carbon

C

XX-5

1689.

14762-75-5

1

0

0

Carbon, isotope of mass 14

14

XX-5

1690.

124-38-9

1

1

1

Carbon dioxide

CO2

XIX-5

1691.

51-90-1

1

0

0

Carbon-14C dioxide

14

XIX-5

1692.

75-15-0

1

0

0

Carbon disulfide

CS2

XIX-5

1693.

630-08-0

1

0

0

Carbon monoxide

CO

XIX-5

14

1671.
1672.

XVII.E-6

C

CO2

14

CO

XIX-5

COS

XIX-5

1694.

7665-54-5

1

0

0

Carbon- C monoxide

1695.

463-58-1

1

0

0

Carbon oxide sulfide (COS)

1696.

75-44-5

0

1

0

Carbon oxychloride

1697.

2944-05-0

1

0

0

Carbon sulfide

CS

1698.

56-23-5

0

1

0

Carbon tetrachloride

CCl4

1699.

10361-29-2

1

0

0

Carbonic acid, ammonium salt

(NH4)2CO3

XX-6

1700.

471-34-1

1

0

0

Carbonic acid, calcium salt

CaCO3

XX-6

1701.

13717-00-5

0

1

0

Carbonic acid, magnesium salt

MgCO3

XX-6

{carbonyl sulfide}
{phosgene}

COCl2

XIX-5, XVIII.B-3, XXI-3
XIX-5
XVIII.B-3, XXI-3

66

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

584-08-7

0

1

0

Carbonic acid, dipotassium salt

K2CO3

XX-6

1703.

497-19-8

0

1

0

Carbonic acid, disodium salt

Na2CO3

XX-6

1704.

1066-33-7

1

1

1

Carbonic acid, monoammonium salt
{ammonium hydrogen carbonate}

(NH4)HCO3

XX-6

1705.

298-14-6

0

1

0

Carbonic acid, monopotassium salt

KHCO3

XX-6

1706.

144-55-8

0

1

0

Carbonic acid, monosodium salt

NaHCO3

XX-6

1707.

9031-55-4

0

1

0

Carboxylase

XXII-2

1708.

9067-77-0

0

1

0

Carboxylase, phosphoenolpyruvate (phosphate)

XXII-2

1709.

37341-54-1

0

1

0

Carboxylase, phosphopyruvate

XXII-2

1710.

9027-23-0

0

1

0

Carboxylase, ribulose diphosphate

XXII-2

1711.

131201-61-1

0

1

0

Carboxylase, ribulose diphosphate (Nicotiana
sylvestris clone NySS4 small subunit precursor
reduced)

XXII-2

1712.

9031-98-5

0

1

0

Carboxypeptidase

1702.

1713.

7235-40-7

1

1

1

Name (per CA Collective Index)

β,β-Carotene

{sodium carbonate}

Chapter
Table

Selected structures

XXII-2
{β-carotene, all-trans}

H3C

CH3

CH3

H3C

CH3

H3C
CH3

CH3

CH3

CH3

I.C-3
1714.

6811-73-0

0

1

0

β,β-Carotene, 13-cis-

I.C-3

1715.

68295-84-1

0

1

0

β,β-Carotene, neo

I.C-3

1716.

14660-91-4

0

1

0

β,β-Carotene, 6,7-didehydro-5',6'-epoxy-5,5',6,6'tetrahydro-3,3',5-trihydroxy-,
(3S,3'S,5R,5'R,6R,6'S,9'-cis)- {neoxanthin}

II.A-5

1717.

30743-41-0

0

1

0

β,β-Carotene, 6,7-didehydro-5',6'-epoxy-5,5',6,6'tetrahydro-3,3',5-trihydroxy-,
(3S,3'S,5R,5'R,6R,6'S)-

II.A-5

1718.

29472-68-2

0

1

0

β,β-Carotene-3,3'-diol

{zeaxanthin}

II.A-5

1719.

144-68-3

0

1

0

β,β-Carotene-3,3'-diol, (3R,3'R)-

{zeaxanthin}

1720.

126-29-4

0

1

0

β,β-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'tetrahydro-, (3S,3'S,5R,5'R,6S,6'S)- {violaxanthin}

II.A-5
H3 C

CH 3

CH 3

H 3C

CH 3

O
HO

OH

O

H 3C
CH 3

CH3

CH 3

CH 3

II.A-5, X-2
1721.

26927-07-1

0

1

0

β,β-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'tetrahydro-, (3S,3'S,5R,5'R,6S,6'S,9-cis)-

II.A-5, X-2

1722.

68831-78-7

0

1

0

β,β-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-,
(3S,3'R,5R,6S,9-cis)-

II.A-5, X-2

1723.

472-70-8

0

1

0

β,β-Caroten-3-ol, (3R)-

1724.

7488-99-5

0

1

0

β,ε-Carotene, (6'R)-

1725.

17539-43-4

0

1

0

β,ε-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-

II.A-5, X-2

1726.

28368-08-3

0

1

0

β,ε-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-,
(3S,3'R,5R,6S,6'R)-

II.A-5, X-2

1727.

512-29-8

0

1

0

β,ε-Carotene-3,3'-diol, 5,8-epoxy-5,8-dihydro-,
(3S,3'R,5R,6'R,8R){flavoxanthin}

II.A-5, X-2

1728.

127-40-2

0

1

0

β,ε-Carotene-3,3'-diol, (3R,3'R,6'R){xanthophyll; lutein}

II.A-5

{cryptoxanthin}

I.C-3

{α-carotene}

H3C

CH3

CH3

H 3C

CH3

OH

H3C
HO

CH 3

CH3

CH 3

CH3

II.A-5

67

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1729.

CAS No.

S

T

S
T

502-65-8

1

1

1

Name (per CA Collective Index)
ψ,ψ-Carotene

Chapter
Table

Selected structures

{lycopene}

I.C-3
1730.

540-04-5

0

1

0

ψ,ψ-Carotene, 7,7',8,8',11,11',12,12'-octahydro{phytoene}

1731.

540-05-6

0

1

0

ψ,ψ-Carotene, 7,7',8,8',11,12-hexahydro{phytofluene}

1732.

9001-05-2

0

1

0

Catalase

1733.

28231-03-0

0

1

0

Cedrenol

I.C-3

I.C-3
XXII-2
OH

CH3
CH3

H3 C

CH3

CH3

H3C
OH

II.A-5
1734.

528-50-7

0

1

0

Cellobiose

1735.

9012-54-8

0

1

0

Cellulase

1736.

9004-34-6

0

1

0

Cellulose

0

1

0

Cellulose, labeled with 14C

1737.

II.A-5, VIII-3, X-2
XXII-2
II.A-5, VIII-3
{cellulose-14C}

XXV-29

1738.

9000-11-7

0

1

0

Cellulose, carboxymethyl ether

II.A-5, VIII-3, X-2

1739.

9004-57-3

0

1

0

Cellulose, ethyl ether

II.A-5, VIII-3, X-2

1740.

9004-67-5

0

1

0

Cellulose, methyl ether

1741.

7440-45-1

1

1

1

Cerium

Ce

XX-5
XX-5

II.A-5, VIII-3, X-2

1742.

14762-78-8

0

1

0

Cerium, isotope of mass 144

144

1743.

7440-46-2

1

1

1

Cesium

Cs

XX-5

Cesium, isotope of mass 134

134

XX-5

137

1744.

13967-70-9

1

1

1

Ce

Cs

1745.

10045-97-3

1

1

1

Cesium, isotope of mass 137

1746.

9001-06-3

0

1

0

Chitinase

XXII-2

1747.

131554-01-3

0

1

0

Chitinase (Nicotiana tabacum samsun isoenzyme
reduced)

XXII-2

1748.

148348-37-2

0

1

0

Chitinase (Nicotiana tabacum xanthi clone
pBSCL226 isoenzyme III precursor reduced)

XXII-2

1749.

152619-17-5

0

1

0

Chitinase (tobacco basic isoenzyme III precursor
reduced)

XXII-2

1750.

128285-05-2

0

1

0

Chitinase (tobacco clone lambda.CHN17 basic
isoenzyme precursor reduced)

XXII-2

1751.

128285-06-3

0

1

0

Chitinase (tobacco clone lambda.CHN17 basic
isoenzyme reduced)

XXII-2

1752.

159520-75-9

0

1

0

Chitinase (tobacco clone 59 gene chi-V precursor
reduced)

XXII-2

1753.

16887-00-6

1

1

1

Chloride

Cl-1

XVIII.B-3, XX-5

1754.

7782-50-5

1

1

1

Chlorine

Cl2

XVIII.B-3, XX-5

38

XVIII.B-3, XX-5

1755.

14158-34-0

0

1

0

Chlorine, isotope of mass 38

1756.

9025-96-1

0

1

0

Chlorophyllase

Cs

Cl2

XX-5

XXII-2

68

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1757.

CAS No.

S

T

S
T

42617-16-3

0

1

0

Chlorophyll a

{also listed under Magnesium}

XX-6, XVII.A-5

{also listed under Magnesium}

XX-6, XVII.A-5

Name (per CA Collective Index)

Chapter
Table

Selected structures

1758.

519-62-0

0

1

0

Chlorophyll b

1759.

1406-65-1

0

1

0

Chlorophylls a + b

XX-6, XVII.A-5

1760.

14897-06-4

0

1

0

Chlorophyllide

XX-6, XVII.A-5

1761.

11006-34-1

0

1

0

Chlorophyllin

XX-6, XVII.A-5

1762.

119973-28-3

1

0

0

Chol-3-ene, 23-methyl-, (5α)-

I.C-1

1763.

747-90-0

1

0

0

Cholesta-3,5-diene

I.C-1

1

0

0

Cholesta-3,5-diene, 24-ethyl-

0

1

0

1764.
1765.

481-21-0

Cholestane, (5α)-

I.C-1
H3C

{coprostane}

CH3
CH3
CH3

CH3

I.C-1
1766.

1

0

0

Cholesta-3,5,22-triene, 24-methyl-

I.C-1

1767.

119973-28-3

1

0

0

Chol-3-ene, 23-methyl-, (5α)-

I.C-1

1768.

747-90-0

1

0

0

Cholesta-3,5-diene

I.C-1

1

0

0

Cholesta-3,5-diene, 24-ethyl-

481-21-0

0

1

0

Cholestane, (5α)-

1769.
1770.

I.C-1
H3C

{coprostane}

CH3
CH3
CH3

CH3

I.C-1
1771.

1

0

0

Cholesta-3,5,22-triene, 24-methylCholest-4-en-3-ol, 4-methyl- (3α)

1772.

96443-01-5

1

0

0

1773.

57-88-5

1

1

1

Cholest-5-en-3-ol (3β)-

I.C-1
II.B-2
CH3

{cholesterol}

CH3
CH3
CH3

CH3

HO

II.B-2
1774.

0

1

0

Cholest-5-en-3-ol (3β)-, 9,12,15-octadecatrienoate,
[3β(Z,Z,Z),22E]{cholesteryl linolenate}

II.B-2, V-3

1775.

0

1

0

Cholest-5-en-3-ol (3β)-, 9-octadecenoate,
[3β(Z),22E]{cholesteryl oleate}

II.B-2, V-3

1776.

0

1

0

Cholest-5-en-3-ol (3β)-, octadecanoate, (3β,22E){cholesteryl stearate}

II.B-2, V-3

1777.

474-77-1

0

1

0

Cholest-5-en-3-ol, (3α)-)

II.B-2

1778.

1253-88-9

0

1

0

Cholest-5-en-3-ol, 4,4-dimethyl-, (3β)-

II.B-2

1779.

6036-58-4

0

1

0

Cholest-7-en-3-ol, (3β)-

II.B-2

1780.

481-25-4

0

1

0

Cholest-7-en-3-ol, 4-methyl-, (3β,4α,5α)-

II.B-2

1781.

6062-47-1

0

1

0

Cholest-8-en-3-ol, 14-methyl-, (3β,5α)-

II.B-2

1782.

5241-24-7

0

1

0

Cholest-8-en-3-ol, 4,4-dimethyl-, (3β,5α)-

II.B-2

{epicholesterol}

69

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1783.

5241-22-5

0

1

0

Cholest-8-en-3-ol, 4-methyl-, (3β,4α,5α)-

1784.

100017-41-2

0

1

0

Cholest-9(11)-en-3-ol, 14-methyl-, (3β,5α)-

1785.

7440-47-3

1

1

1

Chromium

Cr

XX-5

51

XX-5

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.B-2
II.B-2

1786.

14392-02-0

1

1

1

Chromium, isotope of mass 51

1787.

218-01-9

1

1

1

Chrysene

1

0

0

Chrysene, alkyl-

1789.

2642-98-0

1

0

0

Chrysene, 6-amino-

1790.

41637-92-7

1

0

0

Chrysene, dimethyl-

1791.

71277-86-6

1

0

0

Chrysene, ethyl-

1792.

71277-87-7

1

0

0

Chrysene, ethylmethyl-

I.E-6

1793.

41637-90-5

1

0

0

Chrysene, methyl-

I.E-6

1794.

3351-28-8

1

0

0

Chrysene, 1-methyl-

I.E-6

1795.

3351-32-4

1

0

0

Chrysene, 2-methyl-

I.E-6

1796.

3351-31-3

1

0

0

Chrysene, 3-methyl-

I.E-6

1797.

3351-30-2

1

0

0

Chrysene, 4-methyl-

I.E-6

1798.

3697-24-3

1

0

0

Chrysene, 5-methyl-

I.E-6

1799.

1705-85-7

1

0

0

Chrysene, 6-methyl-

1800.

7496-02-8

1

0

0

Chrysene, 6-nitro-

1801.

71277-88-8

1

0

0

Chrysene, pentamethyl-

I.E-6

1802.

71277-89-9

1

0

0

Chrysene, propyl-

I.E-6

1803.

71277-90-2

1

0

0

Chrysene, tetramethyl-

I.E-6

1804.

60826-77-9

1

0

0

Chrysene, trimethyl-

I.E-6

1805.

253-66-7

1

0

0

Cinnoline

1806.

63863-33-2

1

0

0

Cinnoline, dihydro-

XVII.E-6

1807.

14722-38-4

1

0

0

Cinnoline, 4-methyl-

XVII.E-6

1808.

7440-48-4

1

1

1

Cobalt

Co

XX-5

1809.

10198-40-0

1

1

1

Cobalt, isotope of mass 60

60

XX-5

1

0

0

Cobalt carbonyl

85-61-0

0

1

0

Coenzyme A

1812.

604-98-8

0

1

0

Coenzyme A, S-(hydrogen butanedioate)

1813.

7440-50-8

1

1

1

Copper

1788.

1810.
1811.

1814.

0

1

0

Copper, ion

Cr

{1,2-benzophenanthrene}

I.E-6

I.E-6
I.E-6, XII-2
{at least 3 isomers in MSS}

1815.

1317-39-1

0

1

0

Copper oxide

1816.

1332-40-7
1332-65-6

0

1

0

Copper oxychloride

1817.

8012-69-9

0

1

0

Copper oxychloride sulfate

1818.

7758-98-7

0

1

0

Copper sulfate

I.E-6
I.E-6

I.E-6
XVI-1

{1,2-diazanaphthalene}

XVII.E-6

Co

XX-6
XXII-2
XXII-2
Cu

XX-5

+2

Cu

XX-5
XX-6

{RAME}

XXI-3
Cu2Cl(OH)3 + Cu4(OH)6(SO4)

XXI-3
XXI-3

70

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1819.

191-07-1

1

1

1

Coronene

1820.

64760-15-2

1

0

0

Coronene, dimethyl-

I.E-6

1821.

13119-86-3

1

0

0

Coronene, methyl-

I.E-6

1822.

115742-70-6

0

1

0

Cryptogein

1823.

156-62-7

0

1

0

Cyanamide, calcium salt

Ca=N-CN

1824.

1467-79-4

1

0

0

Cyanamide, dimethyl-

(CH3)2=N-CN

1825.

590-28-3

0

1

0

Cyanic acid, potassium salt

K-OCN-

1826.

57-12-5

1

0

0

Cyanide ion

CN-1

XI-2

1827.

1

0

0

Cyanide radical

CN

XXVII-1

1828.

1

0

0

Cyanide radical {acrylonitrile radical}

C3H2N

XXVII-1

C3H4N

XXVII-1

1829.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.E-6

XXII-2
XI-2, XXI-3
XI-2
XX-6, XXI-3

1

0

0

Cyanide radical

1830.

94185-89-4

0

1

0

Cyclase, farnesyl pyrophosphate

XXII-2

1831.

60485-38-3

0

1

0

9,19-Cyclocholest-24-en-3-ol, 4,14-dimethyl-,
(3β,4α,5α)-

II.B-2

1832.

34443-88-4

0

1

0

9,19-Cycloergost-24(28)-en-3-ol, 14-methyl-,
(3β,5α)-

II.B-2

1833.

469-39-6

0

1

0

9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-,
(3β,4α,5α)-

II.B-2

1834.

34347-58-5

0

1

0

9,19-Cycloergostan-3-ol, 14-methyl-, (3β,5α,9β)-

II.B-2

1835.

59780-40-4

0

1

0

9,19-Cycloergostan-3-ol, 4,14-dimethyl-,
(3β,4α,5α,24ξ)-

II.B-2

0

1

0

2,4-Cycloheptadien-1-one, 2,6,6-trimethyl{eucarvone}

III-13

1

0

0

Cycloheptanone

III-13

1836.
1837.

502-42-1

{suberone}
O

1838.

544-25-2

1

0

0

1,3,5-Cycloheptatriene

1839.

29797-09-9

1

0

0

Cyclohexadiene

1840.

592-57-4

1

0

0

1,3-Cyclohexadiene

{tropilidene}

I.C-1

I.C-1
I.C-1

1
2

6

3

5
4

1841.

99-86-5

1

1

1

1,3-Cyclohexadiene, 1-methyl-4-(1-methylethyl){α-terpinene}

1842.

99-83-2

1

1

1

1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl){α-phellandrene}

I.C-1

1843.

4221-98-1

1

1

1

1,3-Cyclohexadiene, 2-methyl-5-(1-methylethyl)-,
(R){α-phellandrene}

I.C-1

1844.

116-26-7

0

1

0

1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6trimethyl{safranal}

III-12

0

1

0

1,3-Cyclohexadiene, 1,2,6,6-tetramethyl-

I.C-1

1845.

I.C-1

71

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

1846.

CAS No.

S

T

S
T

628-41-1

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

1,4-Cyclohexadiene

I.C-1

1
2

6

3

5
4

1847.

99-85-4

0

1

0

1,4-Cyclohexadiene, 1-methyl-4-(1-methylethyl)-

1848.

617-12-9

0

1

0

1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1carboxyethenyl)oxy]-4-hydroxy-, (3R-E)-

1

0

0

Cyclohexadienedione

106-51-4

1

0

0

2,5-Cyclohexadiene-1,4-dione

1849.
1850.

I.C-1
II.A-5, IV.A-3

{quinone}

IX.B-2
IX.B-2

{p-benzoquinone}
O

1851.

1

0

0

2,5-Cyclohexadiene-1,4-dione, compd. with 1,4benzenediol (1:1)

1852.

1

0

0

2,5-Cyclohexadiene-1,4-dione, 2,3-dihydro-

IX.B-2

1853.

1

1

1

2,5-Cyclohexadiene-1,4-dione, 2,3-dihydro-2,2,6trimethyl-

IX.B-2

0

1

0

2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5(3,7,11,15,19,23,27,31,35,39-decamethyl2,6,10,14,18,22,26,30,34,38-tetracontadecenyl)-6methyl{ubiquinone-10}

1854.

106-34-3

O

303-98-0

IX.A-22, IX.B-2

H3CO

(

H3CO

IX.B-2

CH3

O

)

H

10

CH3
O

1855.

137-18-8

1856.

1

0

0

2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl-

IX.B-2

0

1

0

2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1dimethylethyl)-

IX.B-2

1857.

527-61-7

1

0

0

2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-

IX.B-2

1858.

4299-57-4

0

1

0

2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-5(3,7,11,15,19,23,27,31,35-nonamethyl2,6,10,14,18,22, 26,30,34-hexatriacontanonaenyl), (all-E){plastoquinone}

IX.B-2

1859.

606-06-4

0

1

0

2,5-Cyclohexadiene-1,4-dione, 2-(3,7-dimethyl-2,6octadienyl)-5,6-dimethoxy-3-methyl-, (E)-

1860.

2474-72-8

1

0

0

2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-

II.A-5, IX.B-2

1861.

3361-10-2

0

1

0

2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy3,7,11,15-tetramethylhexadecyl)-6-methyl-

II.A-5, IX.B-2

1862.

7559-04-8

0

1

0

2,5-Cyclohexadiene-1,4-dione, 2-(3-hydroxy3,7,11,15-tetramethylhexadecyl)-3,5,6-trimethyl-,
[3R- (3R*,7R*,11R*)]-

II.A-5, IX.B-2

1

0

0

2,5-Cyclohexadiene-1,4-dione, 2-methoxy-

1864.

553-97-9

1

0

0

2,5-Cyclohexadiene-1,4-dione, 2-methyl-

IX.B-2

1865.

527-17-3

1

0

0

2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl-

IX.B-2

1866.

935-92-2

1

0

0

2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-

1867.

583-63-1

1

1

1

3,5-Cyclohexadiene-1,2-dione

1863.

{o-benzoquinone}

IX.B-2, X-2

IX.B-2, X-2

IX.B-2
IX.B-2

O
O

1868.

0

1

0

2,4-Cyclohexadien-1-one, 2,6,6-trimethyl-

1869.

0

1

0

2,5-Cyclohexadien-1-one, 2,6-bis(1,1dimethylethyl)-4-hydoxy-4-methyl-

III-13
II.A-5, III-13

72

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1870.

110-82-7

1

0

0

Cyclohexane

I.C-1

1871.

27195-67-1

1

0

0

Cyclohexane, dimethyl-

I.C-1

1

0

0

Cyclohexane, ethyl-

I.C-1

108-87-2

1

0

0

Cyclohexane, methyl-

I.C-1

1

0

0

Cyclohexane, propyl-

I.C-1

1875.

27013-35-0

1

0

0

Cyclohexane, methyl-(1-methylethenyl)-

I.C-1

1876.

29887-60-3

0

1

0

Cyclohexane, 1,2-dimethoxy-, (E)

X-2

1877.

590-66-9

1

0

0

Cyclohexane, 1,1-dimethyl-

I.C-1

1878.

591-21-9

1

0

0

Cyclohexane, 1,3-dimethyl-

I.C-1

1879.

33880-83-0

0

1

0

Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1methylethenyl)-, (1α,2β,4β)-

I.C-1

1880.

515-13-9

0

1

0

Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1methylethenyl)-, [1S-(1α,2β,4β)]-

I.C-1

1881.

62238-31-7

1

0

0

Cyclohexane, 1-ethyl-1,3-dimethyl-, (Z)-

I.C-1

1882.

62238-29-3

1

0

0

Cyclohexane, 1-ethyl-1,3-dimethyl-, (E)-

I.C-1

1883.

62238-30-6

1

0

0

Cyclohexane, 1-ethyl-1,4-dimethyl-, (Z)-

I.C-1

1884.

62238-32-8

1

0

0

Cyclohexane, 1-ethyl-1,4-dimethyl-, (E)-

I.C-1

1

0

0

Cyclohexane, 1-ethyl-2-propyl-

1886.

608-73-1

1

1

1

Cyclohexane, 1,2,3,4,5,6-hexachloro-

XVIII.B-3, XXI-3

1887.

319-84-6

1

1

1

Cyclohexane, 1,2,3,4,5,6-hexachloro{α Lindane®}

XVIII.B-3, XXI-3

1888.

319-85-7

1

1

1

Cyclohexane, 1,2,3,4,5,6-hexachloro{β Lindane®}

XVIII.B-3, XXI-3

1889.

58-89-9

1

1

1

Cyclohexane, 1,2,3,4,5,6-hexachloro-,
(1α,2α,3β,4α,5α,6β){γ-Lindane®}

XVIII.B-3, XXI-3

1890.

319-86-8

1

1

1

Cyclohexane, 1,2,3,4,5,6-hexachloro{δ Lindane®}

XVIII.B-3, XXI-3

1891.

13828-34-7

1

0

0

Cyclohexane, 1-methyl-3-(1-methylethylidene)-

I.C-1

1

0

0

Cyclohexane, 1-methyl-4-(1-methylethyl){p-menthane}

I.C-1

1872.
1873.
1874.

1885.

1892.
1893.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.C-1

1

0

0

Cyclohexane, 1,2,4,5-tetraethyl-

I.C-1

3073-66-3

1

0

0

Cyclohexane, 1,1,3-trimethyl-

I.C-1

1895.

2043-61-0

0

1

0

Cyclohexanecarboxaldehyde

1896.

34214-77-2

0

1

0

Cyclohexanecarboxylic acid, 3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]trihydroxy, (1α,3α,4α,5β)-

1897.

77-95-2
562-73-2

1

1

1

Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy{quinic acid}

1894.

III-12
II.A-2, IV.A-3, IX.A-22

II.A-2, IV.A-3

HO
OH
HO
COOH
HO

1898.

36413-60-2

0

1

0

Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-,
(1α,3α,4α,5β)-

II.A-2, IV.A-3

73

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1899.

27044-07-1

0

1

0

Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-,
monoester with 3-(4-hydroxy-3-methoxyphenyl)-2propenoic acid, (1α,3α,4α,5β)-

1900.

1899-29-2

0

1

0

Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3(4-hydroxy-3-methoxyphenyl)-1-oxo-2propenyl]oxy]-, (1α,3α,4α,5β){3-O-feruloylquinic acid}

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-2, IV.A-3, V-3, IX.A-22, X-2

O
OCH3

O

OH
HO
OH
HOOC
OH

II.A-2, IV.A-3, V-3, IX.A-22, X-2
1901.

1899-30-5

0

1

0

Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[3(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [1S(1α,3α,4α,5β)]{p-coumaroylquinic acid}

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1902.

2450-53-5

0

1

0

Cyclohexanecarboxylic acid, 3,5-bis[[3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4dihydroxy-, [1R-(1α,3α,4α,5β)]-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1903.

15016-60-1

0

1

0

Cyclohexanecarboxylic acid, 3-[[3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5trihydroxy-, [1R- [1α,3β(Z),4α,5α]]-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1904.

15076-00-3

0

1

0

Cyclohexanecarboxylic acid, 3-[[3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5trihydroxy-, [1R- [1α,3β(E),4α,5α]]-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1905.

327-97-9
93451-46-8

1

1

1

Cyclohexanecarboxylic acid, 3-[[3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5trihydroxy-, [1S-(1α,3β,4α,5α)]{chlorogenic acid; 3-O-caffeoylquinic acid}

O
OH
O
OH
OH

HOOC
OH
OH

II.A-2, IV.A-3, V-3, IX.A-22, X-2, XXI-3
1906.

906-33-2

1907.

0

1

0

Cyclohexanecarboxylic acid, 3-[[3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5trihydroxy-, [1R-(1α,3α,4α,5β)]-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1

1

1

Cyclohexanecarboxylic acid, 5-[[3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5trihydroxy{neochlorogenic acid; 5-O-caffeoylquinic acid

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1908.

55635-13-7

0

1

0

Cyclohexanecarboxylic acid, 2,2-dimethyl-2,4-dioxo3-(1-((2-propenyloxy)amino)butylidene)-, methyl
ester, sodium salt
{Alloxydim-sodium®}

1909.

24321-18-4

0

1

0

Cyclohexanecarboxylic acid, 3-[[3-(3,4-dioxo-1,5cyclohexadien-1-yl)-1-oxo-2-propenyl]oxy]-1,4,5trihydroxy-

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1910.

70898-22-5

0

1

0

II.A-2, IV.A-3, V-3, IX.A-22, X-2

1911.

17608-52-5

0

1

0

1912.

905-99-7

0

1

0

Cyclohexanecarboxylic acid, 3-[[3-[4-(β-Dglucopyranosyloxy)-3-hydroxyphenyl]-1-oxo-2propenyl]oxy]-1,4,5-trihydroxy-, [1S(1α,3β,4α,5α)]Cyclohexanecarboxylic acid, 4-[[3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5trihydroxy{4-O-caffeoylquinic acid}
Cyclohexanecarboxylic acid, 4-[[3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,3,5trihydroxy-, (1α,3α,4α,5β)-

1913.

82612-14-4

0

1

0

1,2-Cyclohexanediol, 4-[1-(acetyloxy)-1methylethyl]-1-methyl-, (1α,2β,4α)-(±)-

III-13, XXI-3

II.A-2, IV.A-3, V-3, IX.A-22, X-2

II.A-2, IV.A-3, V-3, IX.A-22, X-2

II.A-2, V-3

74

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1914.

112019-00-8

0

1

0

1,2-Cyclohexanediol, 2-(3-hydroxy-1-butenyl)-1,3,3trimethyl-, [1R-[1α,2α,2(1E,3S*)]]-

1915.

38713-11-0

0

1

0

1,2-Cyclohexanediol, 1,3,3-trimethyl-

1916.

88663-71-2

0

1

0

1,4-Cyclohexanediol, 1-(1-hydroxy-1-methylethyl)-4methyl-, 4-acetate, (E)-

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-2
II.A-2
CH3
OH

HO

II.A-2, V-3

CH3

H3C-COO

CH3

1917.

88663-72-3

0

1

0

1,4-Cyclohexanediol, 1-(1-hydroxy-1-methylethyl)-4methyl-, 4-acetate, (Z)-

II.A-2, V-3

1918.

59632-88-1

0

1

0

1,4-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-,
1-acetate, (Z)-

II.A-2

1919.

59632-87-0

0

1

0

1,4-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-,
1-acetate, (E)-

II.A-2

1920.

765-87-7

0

1

0

1,2-Cyclohexanedione

III-13

O

O

1921.

1

0

0

1,2-Cyclohexanedione, 4-methyl-

III-13

1922.

3008-43-3

0

1

0

1,2-Cyclohexanedione, 6-methyl-

III-13

1923.

1919-64-8

0

1

0

1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl-

III-13

1924.

1193-55-1

1

1

1

1,3-Cyclohexanedione, 2-methyl-

III-13

1925.

637-88-7

1

1

1

1,4-Cyclohexanedione

III-13
O

1926.

20547-99-3

1

1

1

1,4-Cyclohexanedione, 2,2,6-trimethyl{4-ketodihydroisophorone}

1927.

13487-27-9

0

1

0

Cyclohexanemethanol, α-methyl-, acetate

O

III-13
V-3

CH3

OOC-CH3

1928.

639-99-6

0

1

0

Cyclohexanemethanol, 4-ethenyl-α,α,4-trimethyl-3(1-methylethenyl)-, [1R-(1α,3α,4β)]-

II.A-5

1929.

2451-01-6

1

0

0

Cyclohexanemethanol, 4-hydroxy-α,α,4-trimethyl-,
monohydrate, cis{terpin hydrate}

II.A-5

1930.

104153-60-8

0

1

0

1,2,3-Cyclohexanetriol, 1-methyl-4-(1-methylethyl)-

II.A-5

1931.

108-93-0

1

0

0

Cyclohexanol

II.A-5

1932.

60759-94-6

0

1

0

Cyclohexanol, 1-(3-hydroxy-1-butenyl)-2,2-dimethyl6-methylene-

II.A-5

1933.

586-81-2

0

1

0

Cyclohexanol, 1-methyl-4-(1-methylethylidene)-

II.A-5

1934.

10235-63-9

0

1

0

Cyclohexanol, 1-methyl-4-(1-methylethylidene)-,
acetate

V-3

1935.

22567-22-2

0

1

0

Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, [1R(1α,2α,5β)]-

II.A-5

1936.

51773-45-6

0

1

0

Cyclohexanol, 2-methyl-5-(1-methylethenyl)-, [1R(1α,2α,5α)]-

II.A-5

1937.

88437-32-5

0

1

0

Cyclohexanol, 4-(2-hydroxy-1-methylethylidene)-1methyl-, 1-acetate

1938.

89-79-2

0

1

0

Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, [1R(1α,2β,5α)]-

V-3
II.A-5

75

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

Name (per CA Collective Index)

1939.

1490-04-6

0

1

0

Cyclohexanol, 5-methyl-2-(1-methylethyl)-

1940.

89-78-1

1

1

1

Cyclohexanol, 5-methyl-2-(1-methylethyl)-,
(1α,2β,5α){menthol}

Chapter
Table

Selected structures

II.A-5
II.A-5

CH3

OH
H3C

1941.

CH3

1

1

1

Cyclohexanol, 5-methyl-2-(1-methylethyl)-,
(1α,2β,5α)-14C(U), labeled with 14C
{14C-menthol (U)}

II.A-5

II.A-5

1942.

2216-51-5

0

1

0

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, [1R(1α,2β,5α)]-

1943.

16409-45-3

0

1

0

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate

1944.

108-94-1

1

0

0

Cyclohexanone

V-3
III-13

1945.

2816-57-1

0

1

0

Cyclohexanone, 2,6-dimethyl-

III-13

1946.

71607-84-6

1

0

0

Cyclohexanone, ethenylmethyl-

III-13

1947.

50874-76-5

0

1

0

Cyclohexanone, trimethyl-

III-13

1948.

7500-42-7

0

1

0

Cyclohexanone, 2-hydroxy-2,6,6-trimethyl-

1949.

38462-22-5

0

1

0

Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5methyl-

II.A-5, III-13
III-13, XVIII.A-1

O
CH3
H3C

SH
CH3

1950.

0

1

0

Cyclohexanone, 2-methyl-

III-13

1951.

7764-50-3

1

0

0

Cyclohexanone, 2-methyl-5-(1-methylethenyl)-

III-13

1952.

6909-25-7

0

1

0

Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2Scis)-

III-13

1953.

5948-04-9

0

1

0

Cyclohexanone, 2-methyl-5-(1-methylethenyl)-,
trans-

III-13

1954.

491-07-6

0

1

0

Cyclohexanone, 2-methyl-5-(1-methylethyl)-, (E){dl-isomenthone}

III-13

0

1

0

Cyclohexanone, 2-(1-methylethyl)-

III-13

1956.

15189-14-7

0

1

0

Cyclohexanone, 2,2,5,5-tetramethyl-

III-13

1957.

2408-37-9

0

1

0

Cyclohexanone, 2,2,6-trimethyl{2,6,6-trimethylcyclohexanone}

III-13

0

1

0

Cyclohexanone, 2,4,4-trimethyl-3-(1-oxobutyl)-

III-13

1955.

1958.

{two isomers}

1959.

591-24-2

1

0

0

Cyclohexanone, 3-methyl-

III-13

1960.

60026-21-3

0

1

0

Cyclohexanone, 3,3,5-trimethyl-4-(3-oxo-1-butenyl)-

III-13

1961.

123716-12-1

1

0

0

Cyclohexanone, 4-(1-methylethyl)-3-(2-oxopropyl)-

III-13

1962.

72491-45-3

0

1

0

Cyclohexanone, 4-(2-butenylidene)-3,3,5-trimethyl-

III-13

1963.

20548-02-1

0

1

0

Cyclohexanone, 4-hydroxy-2,2,6-trimethyl-

III-13

1964.

20548-03-2

0

1

0

Cyclohexanone, 4-hydroxy-3,3,5-trimethyl-

III-13

1965.

529-00-0

0

1

0

Cyclohexanone, 5-methyl-2-(1-methylethenyl){isopulegone}

III-13

1966.

89-80-5

1

1

1

Cyclohexanone, 5-methyl-2-(1-methylethyl)-, trans{menthone}

III-13

1967.

89-82-7

0

1

0

Cyclohexanone, 5-methyl-2-(1-methylethylidene)-,
(R){pulegone}

III-13

76

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1968.

110-83-8

1

0

0

Cyclohexene

1969.

74423-06-6

0

1

0

Cyclohexene, 2-(1,3-butadienyl)-1,3,3-trimethyl-,
(E){megastigmatriene}

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.C-1
H3C

I.C-1

CH3
CH2
CH3

1970.

70941-91-2

0

1

0

Cyclohexene, 6-(3,7-dimethyl-1,3,5,7-octatetraenyl)1,5,5-trimethyl-, (E,E,E)-

I.C-1

1971.

495-62-5

0

1

0

Cyclohexene, 4-(1,5-dimethyl-4-hexenylidene)-1methyl{bisabolene}

I.C-1

1972.

25168-07-4

0

1

0

Cyclohexene, ethenyl-

I.C-1

1

0

0

Cyclohexene, 3-ethenyl-1,3-di(4',8',12'trimethyltridecyl)-

I.C-1

1973.
1974.

100-40-3

1

0

0

Cyclohexene, 4-ethenyl-

I.C-1

1975.

20307-84-0

0

1

0

Cyclohexene, 4-ethenyl-4-methyl-3-(1methylethenyl)-1-(1-methylethyl)- {δ-elemene}

I.C-1

1

0

0

Cyclohexene, 4-ethenyl-1,4-di(4',8',12'trimethyltridecyl)-

I.C-1

1976.
1977.

1611-21-8

1

0

0

Cyclohexene, 5-ethenyl-1,5-dimethyl-

I.C-1

1978.

591-49-1

1

0

0

Cyclohexene, 1-methyl-

I.C-1

1979.

38738-60-2

1

0

0

Cyclohexene, 1-methyl-3-(1-methylethenyl){sylvestrene}

I.C-1

1980.

138-86-3

1

1

1

Cyclohexene, 1-methyl-4-(1-methylethenyl){limonene; p-mentha-1,8-diene}

1981.

5989-27-5

1

0

0

Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (R){d-limonene}

I.C-1

1982.

5502-88-5

1

1

1

Cyclohexene, 1-methyl-4-(1-methylethyl)-

I.C-1

1983.

586-62-9

0

1

0

Cyclohexene, 1-methyl-4-(1-methylethylidene){terpinolene}

I.C-1

1984.

1461-27-4

0

1

0

Cyclohexene, 1-methyl-5-(1-methylethenyl)-, (R)-

I.C-1

1

0

0

Cyclohexene, 3-methyl-

I.C-1

1986.

586-67-4

1

0

0

Cyclohexene, 4-methyl-1-(1-methylethenyl){3,8-menthadiene}

I.C-1

1987.

5256-65-5

1

0

0

Cyclohexene, 3-methyl-6-(1-methylethyl)-

I.C-1

1988.

23733-91-7

0

1

0

Cyclohexene, 3-methylene-4-(1-methylethenyl)-,
(R)-

I.C-1

1989.

1

0

0

Cyclohexene, 3-(1"-methylene-5",9",13"trimethyltetradecyl)-1-(4',8',12'-trimethyltridecyl)-

I.C-1

1990.

1

0

0

Cyclohexene, 4-(1"-methylene-5",9",13"trimethyltetradecyl)-1-(4',8',12'-trimethyltridecyl)-

I.C-1

1985.

I.C-1

1991.

1192-88-7

1

0

0

1-Cyclohexene-1-carboxaldehyde

III-12

1992.

432-25-7

0

1

0

1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl{β-cyclocitral}

III-12

1993.

471-90-9

0

1

0

1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl{cyclogeranic acid}

IV.A-3

1994.

138-59-0

0

1

0

1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-,
[3R-(3α,4α,5β)]{shikimic acid}

II.A-5, IV.A-3

77

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1995.

6082-44-6

0

1

0

1-Cyclohexene-1-carboxylic acid, 3-[[3-(3,4dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-4,5dihydroxy-, (3α,4α,5β)-

1996.

38073-89-1

0

1

0

3-Cyclohexene-1-carboxylic acid, 6-(1-methylethyl)-,
cis-

IV.A-3

1997.

19894-91-8

0

1

0

1-Cyclohexene-1,4-dimethanol, α4,α4-dimethyl-,
(S)-

II.A-5

1

1

1

2-Cyclohexene, 1-(2-oxopropyl) 3,5,5-trimethyl-

III-13

1998.

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, IV.A-3, V-3, IX.A-22

1999.

35692-98-9

0

1

0

2-Cyclohexene-1,4-dione, 2-hydroxy-3,5,5-trimethyl-

2000.

1125-21-9

1

1

1

2-Cyclohexene-1,4-dione, 2,6,6-trimethyl{4-ketoisophorone; 4-oxoisophorone}

II.A-5, III-13

2001.

88663-73-4

0

1

0

1-Cyclohexene-1-methanol, 4-(acetyloxy)-α,α,4trimethyl-

2002.

42370-41-2

0

1

0

3-Cyclohexene-1-methanol, 5-hydroxy-α,α,4trimethyl-, trans-

II.A-5

2003.

498-71-5

0

1

0

3-Cyclohexene-1-methanol, 5-hydroxy-α,α,4trimethyl-

II.A-5

2004.

98-55-5

1

1

1

3-Cyclohexene-1-methanol, α,α,4-trimethyl{α-terpineol}

III-13
II.A-5, V-3

II.A-5

CH3
H3C

OH
CH3

2005.

10482-56-1

1

1

1

3-Cyclohexene-1-methanol, α,α,4-trimethyl-, (S)-

II.A-5

2006.

80-26-2

1

1

1

3-Cyclohexene-1-methanol, α,α,4-trimethyl-,
acetate
{α-terpinyl acetate}

II.A-5, V-3

2007.

822-67-3

1

1

1

2-Cyclohexen-1-ol

II.A-5

2008.

536-30-1

0

1

0

2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethyl)-, (1SZ)-

II.A-5

2009.

27185-80-4

0

1

0

2-Cyclohexen-1-ol, 3-(3-hydroxy-1-butenyl)-2,4,4trimethyl-

II.A-5

2010.

470-99-5

0

1

0

2-Cyclohexen-1-ol, 3,5,5-trimethyl-

II.A-5

0

1

0

2-Cyclohexen-1-ol, 3,5,5-trimethyl-4-methylene-

II.A-5
II.A-5

2011.

{isophorol}

2012.

13215-90-2

0

1

0

2-Cyclohexen-1-ol, 4-(2-butenylidene)-3,5,5trimethyl{megastigmatrienol}

2013.

62660-03-1

0

1

0

2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5trimethyl-

.

OH
H3C

CH3
5

4
3

1

HO

CH3

2

OH

H3C

CH3
7
6
3

HO

II.A-5

CH3

9
8

CH3

5
4

CH3

Nomenclature by
Enzell et al.
2014.

68831-80-1

0

1

0

2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5trimethyl-, [1S-[1α,4α(1E,3S*)]]-

II.A-5

2015.

68831-81-2

0

1

0

2-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5trimethyl-, [1S-[1α,4α(1E,3R*)]]-

II.A-5

78

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

2016.

CAS No.

S

T

S
T

78830-91-8

0

1

0

Name (per CA Collective Index)
3-Cyclohexen-1-ol, 1-(3-hydroxy-1-butenyl)-6,6dimethyl-2-methylene-

CH3
6

CH3

1
2

4

OH

3

33759-63-6

0

1

0

3-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5trimethyl-

121269-03-2

0

1

0

3-Cyclohexen-1-ol, 4-(3-hydroxy-1-butenyl)-3,5,5trimethyl-, (E)-

2019.

31162-45-5
58023-72-6

1

1

1

3-Cyclohexen-1-ol, 4-(3-hydroxy-1-butynyl)-3,5,5trimethyl-

CH2

II.A-5

OH
H3C

CH3
CH3

HO

2018.

II.A-5

OH
H3C
5

2017.

Chapter
Table

Selected structures

CH3

II.A-5
II.A-5
OH

HO

2020.

562-74-3

1

1

1

3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl){4-carvomenthol}

II.A-5

2021.

23811-18-9

0

1

0

3-Cyclohexen-1-ol, 3,5,5-trimethyl-, (±)-

II.A-5

2022.

930-68-7

1

1

1

2-Cyclohexen-1-one

III-13

2023.

74051-80-2

0

1

0

2-Cyclohexen-1-one, 2-[1-(ethoximino)butyl]-5-[2(ethylthio)-propyl]-3-hydroxy{Sethoxydim®}

2024.

10316-66-2

1

0

0

2-Cyclohexen-1-one, 2-hydroxy-

II.A-5, III-13

2025.

490-03-9

0

1

0

2-Cyclohexen-1-one, 2-hydroxy-3-methyl{diosphenol}

II.A-5, III-13

2026.

65310-49-1

1

0

0

2-Cyclohexen-1-one, 2-hydroxy-3-propyl-

II.A-5, III-13

2027.

1121-18-2

1

0

0

2-Cyclohexen-1-one, 2-methyl-

III-13

2028.

99-49-0

1

1

1

2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl){l-carvone}

III-13

2029.

2244-16-8

0

1

0

2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl){d-carvone}

III-13

2030.

1

0

0

2-Cyclohexen-1-one, 2-propyl-3-methyl- {2
isomers}

III-13

2031.

1

0

0

2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(1,3butadienyl)-

III-13

II.A-5, III-13, XXI-3

2032.

27185-77-9

0

1

0

2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1butenyl)-

III-13

2033.

20013-73-4

0

1

0

2-Cyclohexen-1-one, 2,6,6-trimethyl-

III-13

2034.

5220-49-5

1

0

0

2-Cyclohexen-1-one, 3-amino-

2035.

67401-25-6

0

1

0

2-Cyclohexen-1-one, 3-(2-butenyl)-2,4,4-trimethyl-,
(Z)-

III-13

2036.

1193-18-6

1

0

0

2-Cyclohexen-1-one, 3-methyl-

III-13

2037.

89-81-6

0

1

0

2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl){D-piperitone}

III-13

0

1

0

2-Cyclohexen-1-one, 3-methyl-2-(1,3-pentadienyl)-

III-13

2039.

78-59-1

1

1

1

2-Cyclohexen-1-one, 3,5,5-trimethyl{isophorone}

III-13

2040.

133304-85-5

1

0

0

2-Cyclohexen-1-one, 3,4-dimethyl-2-hydroxy-

2038.

III-13, XII-2

II.A-5, III-13

79

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

2041.

CAS No.

S

T

S
T

2748-09-6

1

0

0

2-Cyclohexen-1-one, 3,5-dimethyl-2-hydroxy-

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, III-13

2042.

2748-08-5

1

0

0

2-Cyclohexen-1-one, 3,6-dimethyl-2-hydroxy-

II.A-5, III-13

2043.

41577-83-7

1

0

0

2-Cyclohexen-1-one, 3-ethyl-2-hydroxy-

II.A-5, III-13

2044.

51771-56-3

1

1

1

2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(1methylethenyl)-

III-13

2045.

53398-09-7

0

1

0

2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(1-oxo-2butenyl)-

III-13

2046.

60026-25-7

1

1

1

2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(1-propenyl)-

III-13

2047.

33601-06-8

0

1

0

2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1butenyl)-, (R)-(+)-

III-13

2048.

20548-00-9

0

1

0

2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene{methyleneisophorone}

III-13

2049.

5896-02-6

1

1

1

2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5trimethyl-

III-13

O

2050.

38818-55-2

1

0

0

2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5trimethyl-, (E)-

2051.

77761-55-8

0

1

0

2-Cyclohexen-1-one, 4-(2,3-dihydroxybutylidene)3,5,5-trimethyl-

II.A-5, III-13

2052.

77842-24-1

0

1

0

2-Cyclohexen-1-one, 4-(2,3-dihydroxybutylidene)3,5,5-trimethyl{isomer}

II.A-5, III-13

1

0

0

2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5triethyl-

III-13

5896-02-6

1

0

0

2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5trimethyl-

III-13

1

0

0

2-Cyclohexen-1-one, 4-(2-butenyl)-3,5,5-trimethyl-

III-13

2056.

13215-88-8

1

1

1

2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5trimethyl-

III-13

2057.

5164-78-3

1

1

1

2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5trimethyl-, (E,E){megastigmatrienone} {trans-, trans-K1a}

2053.
2054.
2055.

III-13

III-13

O

2058.

5298-13-5

1

1

1

2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5trimethyl-, (E,Z){trans-,cis-K2a}

III-13

2059.

5492-79-5

1

1

1

2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5trimethyl-, (Z,E){cis-, trans-K1b}

III-13

2060.

5164-79-4

1

1

1

2-Cyclohexen-1-one, 4-(2-butenylidene)-3,5,5trimethyl-, (Z,Z){cis-, cis-K2b}

III-13

1

1

1

2-Cyclohexen-1-one, 4-(3-butenylidene)-3,5,5trimethyl-

III-13

2-Cyclohexen-1-one, 4-ethyl-

2061.
2062.

0

1

0

2063.

62512-22-5

0

1

0

2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)1-butenyl]-3,5,5-trimethyl-

II.A-5, III-13, X-2

III-13

2064.

77699-19-5

0

1

0

2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)1-butenyl]-3,5,5-trimethyl-, [R-[R*,R*-(E)]]-

II.A-5, III-13, X-2

2065.

159813-37-3

0

1

0

2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)1-butenyl]-3,5,5-trimethyl-, [4R-[4R*(1E,3S*)]]-

II.A-5, III-13, X-2

80

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2066.

54835-70-0

0

1

0

2-Cyclohexen-1-one, 4-[3-(β-D-glucopyranosyloxy)1-butenyl]-4-hydroxy-3,5,5-trimethyl-, [R-[R*,S*(E)]]-

II.A-5, III-13, X-2

2067.

62512-23-6

0

1

0

2-Cyclohexen-1-one, 4-[3-(β-Dglucopyranosyloxy)butyl]-3,5,5-trimethyl-

II.A-5, III-13, X-2

2068.

91048-13-4

0

1

0

2-Cyclohexen-1-one, 4-[3-(β-Dglucopyranosyloxy)butylidene]-3,5,5-trimethyl-

II.A-5, III-13, X-2

2069.

34318-21-3

1

1

1

2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5trimethyl{4-keto-α-ionol}

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, III-13

OH
H3C

CH3
CH3
CH3

O

2070.

52210-15-8

1

1

1

2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5trimethyl-, [R-[R*,R*-(E)]]-

II.A-5, III-13

2071.

68759-08-0

1

1

1

2-Cyclohexen-1-one, 4-(3-hydroxy-1-butenyl)-3,5,5trimethyl-, [S-[R*,S*-(E)]]-

II.A-5, III-13

2072.

60047-19-0

1

1

1

2-Cyclohexen-1-one, 4-(3-hydroxybutyl)-3,5,5trimethyl{4-ketodihydro-α-ionol}

II.A-5, III-13

2073.

36151-02-7

1

1

1

2-Cyclohexen-1-one, 4-(3-hydroxybutyl)-3,5,5trimethyl-, [R-(R*,R*)]-

II.A-5, III-13

2074.

60026-24-6

1

1

1

2-Cyclohexen-1-one, 4-(3-hydroxybutylidene)-3,5,5trimethyl-

II.A-5, III-13

2075.

19620-37-2

0

1

0

2-Cyclohexen-1-one, 4-hydroxy-2,6,6-trimethyl-

II.A-5, III-13

2076.

14203-59-9

0

1

0

2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-

II.A-5, III-13

2077.

24427-77-8

1

0

0

2-Cyclohexen-1-one, 4-hydroxy-4-(3-hydroxy-1butenyl)-3,5,5-trimethyl{vomifoliol}

II.A-5, III-13

0

1

0

2-Cyclohexen-1-one, 4-(1-methylethyl)-

III-13

2078.
2079.

51171-72-3

1

0

0

2-Cyclohexen-1-one, 4-phenyl-

III-13

2080.

1073-13-8

1

0

0

2-Cyclohexen-1-one, 4,4-dimethyl-

III-13

2081.

5715-25-3

0

1

0

2-Cyclohexen-1-one, 4,5-dimethyl-

2082.

7712-46-1

0

1

0

2-Cyclohexen-1-one, 5-(1-hydroxy-1-methylethyl)-2methyl-

III-13
II.A-5, III-13

O

OH

2083.

56691-69-1

0

1

0

2-Cyclohexen-1-one, 5-[1-(acetyloxy)-1methylethyl]-2-methyl-, (R)-

2084.

499-74-1

1

0

0

2-Cyclohexen-1-one, 6-methyl-3-(1-methylethyl)-

2085.

4096-34-8

1

0

0

3-Cyclohexen-1-one

III-13

0

1

0

3-Cyclohexen-1-one, 4-(1-butenyl)-3,5,5-trimethyl-

III-13

2086.

III-13, V-3
III-13

2087.

471-01-2

1

0

0

3-Cyclohexen-1-one, 3,5,5-trimethyl-

III-13

2088.

4657-58-3

0

1

0

9,19-Cyclolanostan-3-ol, (3β)-

II.B-2

2089.

26955-76-0

0

1

0

9,19-Cyclolanostan-3-ol, 24,25-epoxy-, (3β)-

II.B-2

2090.

1449-09-8

0

1

0

9,19-Cyclolanostan-3-ol, 24-methylene-, (3β)-

2091.

469-38-5

1

0

0

II.B-2
CH3

9,19-Cyclolanost-24-en-3-ol, (3β){cycloartenol}

CH3

CH3
CH3
HO
H3C

CH3

CH3

II.B-2

81

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2092.

25692-13-1

0

1

0

9,19-Cyclolanost-24-en-3-ol, 24-methyl-, (3β)-

II.B-2

2093.

51088-90-5

0

1

0

9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3β,24S)-

II.B-2

2094.

511-61-5

0

1

0

9,19-Cyclolanost-25-en-3-ol, 24-methyl-, (3β,24S)-

II.B-2

2095.

124713-05-9

0

1

0

9,19-Cyclolanost-5-en-3-ol, 24-methylene-, (3β)-

II.B-2

2096.

629-20-9

1

0

0

1,3,5,7-Cyclooctatetraene

I.C-1

2097.

149331-19-1

0

1

0

Cyclononane, 1,1,4,4,7,7-hexamethyl-

I.C-1

2098.

202-98-2

1

0

0

4H-Cyclopenta[def]chrysene
{4,5-methylenechrysene}

I.E-6

2099.

126458-49-9

0

1

0

4HCyclopenta[3',4']cycloocta[1',2':1,5]cyclopent[1,2b]oxiren-4-one, 1,2,2a,5,6,8,9,10,10a,10bdecahydro-2,6,10a-trimethyl-8-(1-methylethyl)-,
[2aS-(2aα,3aS*,6β,8β,10aβ,10bβ)]-

III-13

2100.

86154-08-7

0

1

0

4HCyclopenta[3',4']cycloocta[1',2':1,5]cyclopent[1,2b]oxiren-4-one, 1,2,2a,7,7a,8,9,10,10a,10bdecahydro-2a,6,10a-trimethyl-8-(1-methylethyl)-,
(2aα,3aR*,7aβ,8β,10aβ,10bβ)-

III-13

2101.

142750-43-4

0

1

0

Cyclopentacycloundecene, tetradecahydro-1,4,8trimethyl-11-(1-methylethyl)-

I.C-1

2102.

142750-40-1

0

1

0

4,10(1H,5H)-Cyclopentacycloundecenedione,
2,3,3a,6,7,11,12,12a-octahydro-1,3,12-trihydroxy3,8,12-trimethyl-5-(1-methylethyl)-,
(1R*,3S*,3aR*,5S*,8Z,12R*,12aR*)-(-)-

III-13

2103.

541-91-3

0

1

0

Cyclopentadecanone, 3-methyl-

III-13

2104.

542-92-7

1

0

0

1,3-Cyclopentadiene

1

0

0

1,3-Cyclopentadiene, dimethyl-

I.C-1
I.C-1

2105.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.C-1

{pyropentylene}

2106.

26519-92-6

1

0

0

1,3-Cyclopentadiene, ethyl-

2107.

26519-91-5

1

0

0

1,3-Cyclopentadiene, methyl-

I.C-1

2108.

33320-27-3

1

0

0

1,3-Cyclopentadiene-1-carboxaldehyde

III-12

2109.

4784-86-5

1

0

0

1,3-Cyclopentadiene, 1,2-dimethyl-

I.C-1

2110.

4045-53-8

1

0

0

1,3-Cyclopentadiene, 1,3-dimethyl-

I.C-1

2111.

96-39-9

1

0

0

1,3-Cyclopentadiene, 1-methyl-

I.C-1

2112.

96-38-8

1

0

0

1,3-Cyclopentadiene, 5-methyl-

I.C-1

2113.

497-20-1

1

0

0

1,3-Cyclopentadiene, 5-methylene-

1

0

0

2,4-Cyclopentadien-1-one, 2,3-dimethyl-4-hydroxy-

1

0

0

2,4-Cyclopentadien-1-one, 2-methyl-

2114.
2115.

94618-71-0

{fulvene}

I.C-1
II.A-5, III-13
III-13

82

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

193-54-4

1

0

0

Cyclopenta[cd]fluoranthene

2117.

0

1

0

Cyclopenta[b]furan, 3-acetyl-4-pentyl-

2118.

1

1

1

Cyclopenta[b]furan-6-one, 4,5-dihydro-2-methyl-

2116.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.E-6

C5H11

III-13, X-2

COCH3

O

III-13, X-2
CH3
O
O

2119.

1162-65-8

0

1

0

Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran1,11-dione, 2,3,6a,9a-tetrahydro-4-methoxy-,
(6aR-cis){aflatoxin B1}

O

O

III-13, VI-3, X-2

O

O
O

OCH3

2120.

7220-81-7

0

1

0

Cyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran1,11-dione, 2,3,6a,8,9,9a-hexahydro-4-methoxy-,
(6aR-cis){aflatoxin B2}

2121.

287-92-3

1

0

0

Cyclopentane

2122.

2452-99-5

1

0

0

Cyclopentane, 1,2-dimethyl-, cis-

I.C-1

2123.

822-50-4

1

0

0

Cyclopentane, 1,2-dimethyl-, trans-

I.C-1

2124.

96-37-7

1

0

0

Cyclopentane, methyl-

I.C-1

2125.

53366-54-4

1

0

0

Cyclopentane, (2-methylbutylidene)-

I.C-1

2126.

53366-58-8

1

0

0

Cyclopentane, (2-methylpropylidene)-

I.C-1

2127.

79637-61-9

1

0

0

Cyclopentane, propenyl-

I.C-1

1

0

0

Cyclopentane, propyl-

I.C-1

2129.

30498-64-7

1

0

0

Cyclopentane, trimethyl-

I.C-1

2130.

20497-93-2

0

1

0

Cyclopentanecarboxaldehyde, 2-hydroxy-1-methyl{2 isomers}

III-12

2131.

3400-45-1

0

1

0

Cyclopentanecarboxylic acid
{cyclopentanoic acid}

IV.A-3

2132.

38655-27-5

0

1

0

Cyclopentanecarboxylic acid, 1-methyl-3-(1methylethenyl)-

IV.A-3

2133.

66016-71-5

0

1

0

1,2-Cyclopentanedicarboxylic acid, 1-methyl-3-(1methylethyl)-

IV.A-3

2134.

28473-29-2

1

0

0

Cyclopentanedione

2135.

3008-40-0

1

1

1

1,2-Cyclopentanedione

III-13

2136.

0

1

0

1,2-Cyclopentanedione, 4-acetyl-

III-13

2137.

1

0

0

1,2-Cyclopentanedione, 3,4-diethyl-

III-13

2128.

III-13, VI-3, X-2

{pentamethylene}

I.C-1

{2 isomers}

III-13

2138.

54362-49-1

1

0

0

1,2-Cyclopentanedione, 3,5-diethyl-

III-13

2139.

72692-92-3

1

1

1

1,2-Cyclopentanedione, 3,3-dimethyl-

III-13

2140.

13494-06-9

1

1

1

1,2-Cyclopentanedione, 3,4-dimethyl-

III-13

2141.

13494-07-0

1

1

1

1,2-Cyclopentanedione, 3,5-dimethyl-

III-13

83

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

13494-08-1

1

0

0

1,2-Cyclopentanedione, 3-ethyl-

III-13

2143.

1

0

0

1,2-Cyclopentanedione, 3-ethyl-3-methyl-

III-13

2144.

1

0

0

1,2-Cyclopentanedione, 3-ethyl-4-methyl-

III-13

71608-11-2

1

0

0

1,2-Cyclopentanedione, 3-ethyl-5-methyl- = 1,2Cyclopentanedione, 5-ethyl-3-methyl-

III-13

1

0

0

1,2-Cyclopentanedione, hydroxy-

2147.

765-70-8

1

1

1

1,2-Cyclopentanedione, 3-methyl-

2148.

60386-55-2

1

0

0

1,2-Cyclopentanedione, 3-(1-methylethyl)-

III-13

2149.

72693-09-5

1

0

0

1,2-Cyclopentanedione, 4-(1-methylethyl)-

III-13

2150.

71608-12-3

1

0

0

1,2-Cyclopentanedione, 3-methyl-5-propyl-

III-13

2151.

69745-71-7

1

0

0

1,2-Cyclopentanedione, 3-phenyl-

III-13

2152.

4542-64-7

1

0

0

1,2-Cyclopentanedione, 4-phenyl-

III-13

2153.

23747-37-7

1

0

0

1,2-Cyclopentanedione, 3-propyl-

III-13

2154.

3859-41-4

0

1

0

1,3-Cyclopentanedione

III-13

2155.

34598-80-6

1

0

0

1,3-Cyclopentanedione, 2,4-dimethyl-

III-13

2156.

823-36-9

1

0

0

1,3-Cyclopentanedione, 2-ethyl-

III-13

2157.

765-69-5

1

0

0

1,3-Cyclopentanedione, 2-methyl-

2158.

120-92-3

1

1

1

Cyclopentanone

2159.

55713-44-5

0

1

0

Cyclopentanone, 2,2-dimethyl-4-(2-oxopropyl)-

III-13

2160.

4041-09-2

1

0

0

Cyclopentanone, 2,5-dimethyl-

III-13

2161.

4971-18-0

1

0

0

Cyclopentanone, 2-ethyl-

III-13

2162.

10264-55-8

1

0

0

Cyclopentanone, 3-ethyl-

III-13

2163.

1

0

0

Cyclopentanone, 2-ethylidene-

III-13

2164.

1

0

0

Cyclopentanone, 2-hydroxy-

III-13

2142.

2145.
2146.

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, III-13
{cyclotene}

III-13

III-13
{adipic ketone}

III-13

2165.

28631-88-1

1

0

0

Cyclopentanone, methyl-

III-13

2166.

1120-72-5

1

0

0

Cyclopentanone, 2-methyl-

III-13

1

0

0

Cyclopentanone, 2-(1-methylpropyl)-

III-13

2167.
2168.

1757-42-2

1

0

0

Cyclopentanone, 3-methyl-

III-13

2169.

189-01-5

1

0

0

Cyclopenta[cd]perylene

I.E-6

1

0

0

Cyclopenta[cd]perylene, methyl-

I.E-6

211-95-0

1

0

0

Cyclopenta[a]phenalene

I.E-6

2172.

1

0

0

Cyclopentaphenanthrene
{at least 2 isomers in MSS}

I.E-6

2173.

1

0

0

Cyclopentaphenanthrene, methyl{at least 2 isomers in MSS}

I.E-6

2170.
2171.

84

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2174.

219-07-8

1

0

0

15H-Cyclopenta[a]phenanthrene

I.E-6

2175.

482-66-6

1

0

0

15H-Cyclopenta[a]phenanthrene, 16,17-dihydro-

I.E-6

2176.

219-08-9

1

0

0

17H-Cyclopenta[a]phenanthrene

I.E-6

2177.

71277-92-4

1

0

0

17H-Cyclopenta[a]phenanthrene, ethyl-

I.E-6

2178.

71277-93-5

1

0

0

17H-Cyclopenta[a]phenanthrene, methyl-

I.E-6

2179.

203-64-5

1

0

0

4H-Cyclopenta[def]phenanthrene
{4,5-methylenephenanthrene}

I.E-6

2180.

71277-91-3

1

0

0

4H-Cyclopenta[def]phenanthrene, dimethyl-

I.E-6

2181.

65319-51-9

1

0

0

4H-Cyclopenta[def]phenanthrene, ethyl-

I.E-6

2182.

58548-39-3

1

0

0

4H-Cyclopenta[def]phenanthrene, methyl-

I.E-6

1

0

0

Cyclopenta[l]phenanthrene, dihydro-

I.E-6

1

0

0

5H-Cyclopentapyrazine

2183.

2184.

25042-83-5

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVII.E-6

4
5

N
3

6
2
7

N
1

2185.

38917-63-4

1

0

0

5H-Cyclopentapyrazine, 6,7-dihydro-2,3-dimethyl-

1

0

0

5H-Cyclopentapyrazine, 6,7-dihydro-5,7-dimethyl-

XVII.E-6

2187.

38917-60-1

1

0

0

5H-Cyclopentapyrazine, 6,7-dihydro-2-ethyl-

XVII.E-6

2188.

23747-46-8

1

1

1

5H-Cyclopentapyrazine, 6,7-dihydro-2-methyl-

XVII.E-6

2189.

23747-48-0

1

1

1

5H-Cyclopentapyrazine, 6,7-dihydro-5-methyl-

XVII.E-6

2190.

61891-57-4

1

0

0

5H-Cyclopentapyrazine, dimethyl-

XVII.E-6

2191.

42315-22-0

1

0

0

Cyclopenta[a]pyrene

I.E-6

1

0

0

Cyclopenta[a]pyrene, 3,4-dihydro{sometimes listed as 3,4-trimethylenepyrene}

I.E-6

1

0

0

Cyclopenta[a]pyrene, 3,4-dihydromethyl-

I.E-6

1

0

0

Cyclopenta[cd]pyrene

I.E-6

2186.

2192.
2193.
2194.

27208-37-3

XVII.E-6

85

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2195.

25732-74-5

1

0

0

Cyclopenta[cd]pyrene, 3,4-dihydro-

2196.

64760-18-5

1

0

0

Cyclopenta[cd]pyrene, 3,4-dihydromethyl-

I.E-6

2197.

23992-32-7

1

0

0

4H-Cyclopenta[def]triphenylene
{4,5-methylenetriphenylene}

I.E-6

2198.

142-29-0

1

0

0

Cyclopentene

2199.

0

1

0

Cyclopentene, 2-acetyl-4-hydroxy-4-(1-methylethyl)-

2200.

0

1

0

Cyclopentene, 2,3-diacetyl-1-(1-methylethyl)-

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.E-6

I.C-1

II.A-5, III-13
H3C

III-13

CH3

1

CO-CH3

2
3

4

CO-CH3

2201.

0

1

0

Cyclopentene, 2,3-diacetyl-4-(1-methylethyl)-

H3C

4

1

III-13

CH3

3

CO-CH3

2

CO-CH3

2202.

1

0

0

Cyclopentene, ethenyl-

I.C-1

28638-58-6

1

0

0

Cyclopentene, 1-ethenyl-

I.C-1

1

0

0

Cyclopentene, ethyl-

I.C-1

2146-38-5

1

0

0

Cyclopentene, 1-ethyl-

I.C-1

2206.

693-89-0

1

0

0

Cyclopentene, 1-methyl-

I.C-1

2207.

1120-62-3

1

0

0

Cyclopentene, 3-methyl-

I.C-1

2208.

1759-81-5

1

0

0

Cyclopentene, 4-methyl-

I.C-1

2209.

3074-61-1

1

0

0

Cyclopentene, 1-propyl-

2210.

56169-12-1

0

1

0

1-Cyclopentene-1-carboxylic acid, 2-methyl-5-(1methylethyl)-

2203.
2204.
2205.

I.C-1
COOH

IV.A-3

CH3

H3C
CH3

2211.

28750-51-8

1

0

0

3-Cyclopentene-1,2-dione

III-13

1

0

0

3-Cyclopentene-1,2-dione, 3,4-dimethyl-

III-13

2687-69-6

1

0

0

3-Cyclopentene-1,2-dione, 3,5-dimethyl-

III-13

1

0

0

3-Cyclopentene-1,2-dione, 3-ethyl-4-methyl-

III-13

2215.

10130-95-7

1

0

0

3-Cyclopentene-1,2-dione, 3-methyl-

III-13

2216.

66309-79-3

1

0

0

3-Cyclopentene-1,2-dione, 4-methyl-

III-13

2212.
2213.
2214.

2217.

930-60-9

0

1

0

4-Cyclopentene-1,3-dione

III-13

2218.

18515-43-0

1

0

0

4-Cyclopentene-1,3-dione, 4,5-dimethyl-

III-13

2219.

53109-18-5

0

1

0

1-Cyclopentene-1-pentanoic acid, δ-hydroxy-3,5bis(1-methylpropyl)-β-oxo-

III-13

2220.

28982-58-3

1

0

0

Cyclopentenone

2221.

930-30-3

1

0

0

2-Cyclopenten-1-one

2222.

24105-07-5

1

0

0

2-Cyclopenten-1-one, C3-alkyl-

III-13
{cyclopenten-3-one}

III-13
III-13

86

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
2223.

S

T

S
T

1

0

0

2-Cyclopenten-1-one, C4-alkyl-

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13

2224.

72692-71-8

1

0

0

2-Cyclopenten-1-one, dimethyl-

2225.

61205-39-8

1

0

0

2-Cyclopenten-1-one, ethyl-2-hydroxy-

II.A-5, III-13

III-13

2226.

21835-01-8

II.A-5, III-13

1

0

0

2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-

2227.

1

0

0

2-Cyclopenten-1-one, ethyl-methyl-

III-13

2228.

1

0

0

2-Cyclopenten-1-one, methyl-

III-13

2229.

1

0

0

2-Cyclopenten-1-one, phenyl-

III-13

2230.

1

0

0

2-Cyclopenten-1-one, trimethyl-

2231.

17190-74-8

0

1

0

2-Cyclopenten-1-one, 2-(2-butenyl)-4-hydroxy-3methyl-

2232.

78210-65-8

1

0

0

2-Cyclopenten-1-one, 2-(2-furanyl)-

2233.

61892-84-0

1

0

0

2-Cyclopenten-1-one, 2-(2-oxopropyl)-

2234.

80-72-8

1

0

0

2-Cyclopenten-1-one, 2,3-dihydroxy{reductic acid}

III-13
II.A-5, III-13
III-13, X-2
III-13
II.A-5, III-13
O

HO
OH

2235.

1121-05-7

1

1

1

2-Cyclopenten-1-one, 2,3-dimethyl-

III-13

2236.

3779-64-4

1

0

0

2-Cyclopenten-1-one, 2,3-dimethyl-4-(1methylethyl)-

III-13

2237.

61893-14-9

0

1

0

2-Cyclopenten-1-one, 2,3-dimethyl-5-(1methylethyl)-

III-13

2238.

28790-86-5

1

0

0

2-Cyclopenten-1-one, 2,3,4-trimethyl-

III-13

2239.

5456-24-5

1

0

0

2-Cyclopenten-1-one, 2,3,5-trimethyl-

III-13

2240.

66309-82-8

1

0

0

2-Cyclopenten-1-one, 2,4,5-trimethyl-

III-13

2241.

23048-13-7

1

0

0

2-Cyclopenten-1-one, 2,4-dimethyl-

III-13

2242.

4041-11-6

1

0

0

2-Cyclopenten-1-one, 2,5-dimethyl-

III-13

2243.

2931-10-4

1

0

0

2-Cyclopenten-1-one, 2-ethyl-

III-13

2244.

5682-72-4

1

0

0

2-Cyclopenten-1-one, 2-ethyl-3-methyl-

III-13

2245.

78210-64-7

1

0

0

2-Cyclopenten-1-one, 2-ethyl-5-methyl-

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-

2246.
2247.

III-13
II.A-5, III-13

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-(1-butyl)-

II.A-5, III-13

1

1

1

2-Cyclopenten-1-one, 2-hydroxy-3-methyl{methylcyclopentenolone}

II.A-5, III-13

2249.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-(2-methylbutyl)-

II.A-5, III-13

2250.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-(3-methylbutyl)-

II.A-5, III-13

2251.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-methyl-4-(1methylethyl)-

II.A-5, III-13

2252.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylethyl)-

II.A-5, III-13

2253.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-(1-methylpropyl)-

II.A-5, III-13

2254.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-(2-methylpropyl)-

II.A-5, III-13

2255.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-methyl-4-propyl-

II.A-5, III-13

2256.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-methyl-5-propyl-

II.A-5, III-13

2257.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-4-methyl-

II.A-5, III-13

2258.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-4-methyl-3-propyl-

II.A-5, III-13

2259.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-pentyl-

II.A-5, III-13

2248.

80-71-7

87

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

Name (per CA Collective Index)

Chapter
Table

2260.

25684-04-2

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3-propyl-

II.A-5, III-13

2261.

82147-26-0

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-4-propyl-

II.A-5, III-13

2262.

61205-40-1

1

1

1

2-Cyclopenten-1-one, 2-hydroxypropyl-

II.A-5, III-13

2263.

1

0

0

2-Cyclopenten-1-one, 2-hydroxy-3,4,5-trimethyl-

II.A-5, III-13

2264.

1

0

0

2-Cyclopenten-1-one, 2-methoxy-

III-13, X-2
III-13, X-2

Selected structures

2265.

14189-85-6

1

0

0

2-Cyclopenten-1-one, 2-methoxy-3-methyl-

2266.

1120-73-6

1

0

0

2-Cyclopenten-1-one, 2-methyl-

III-13

2267.

5760-58-7

1

0

0

2-Cyclopenten-1-one, 2-methyl-3-propyl-

III-13

2268.

61892-83-9

1

0

0

2-Cyclopenten-1-one, 2-methyl-4-(1-methylethyl)-

III-13

2269.

31089-17-5

1

0

0

2-Cyclopenten-1-one, 2-methyl-5-(1-methylethyl)-

III-13

2270.

66309-80-6

1

0

0

2-Cyclopenten-1-one, 2-methyl-5-methylene-

III-13

2271.

24105-07-5

1

0

0

2-Cyclopenten-1-one, 2-propyl-

III-13

1

0

0

2-Cyclopenten-1-one, 3-(2-furanyl)-

III-13

1619-28-9

1

0

0

2-Cyclopenten-1-one, 3-(1-methylethyl)-

III-13

1

0

0

2-Cyclopenten-1-one, 3,4-diethyl-2-hydroxy-

30434-64-1

1

0

0

2-Cyclopenten-1-one, 3,4-dimethyl-

1

0

0

2-Cyclopenten-1-one, 3,4-dimethyl-2-hydroxy-

72692-76-3

0

1

0

2-Cyclopenten-1-one, 3,4-dimethyl-2-(1methylethyl)-

1

0

0

2-Cyclopenten-1-one, 3,5-diethyl-2-hydroxy-

2272.
2273.
2274.
2275.
2276.
2277.
2278.
2279.

931-22-6

II.A-5, III-13
III-13
II.A-5, III-13
III-13
II.A-5, III-13

1

1

1

2-Cyclopenten-1-one, 3,5-dimethyl-

2280.

1

0

0

2-Cyclopenten-1-one, 3,5-dimethyl-2-4-ethylhydroxy-

II.A-5, III-13

III-13

2281.

1

0

0

2-Cyclopenten-1-one, 3,5-dimethyl-2-hydroxy-

II.A-5, III-13

2282.

0

1

0

2-Cyclopenten-1-one, 3,5-dimethyl-2-(1methylethyl)-

III-13

2283.

5682-69-9

1

0

0

2-Cyclopenten-1-one, 3-ethyl-

2284.

21835-01-8

1

0

0

2-Cyclopenten-1-one, 3-ethyl-2-hydroxy{ethylcyclopentenolone}

II.A-5, III-13

III-13

2285.

1

0

0

2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-4-methyl-

II.A-5, III-13

2286.

1

0

0

2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-5-methyl-

II.A-5, III-13

2287.

1

0

0

2-Cyclopenten-1-one, 3-ethyl-2-methoxy-

III-13

2288.

41496-77-9

1

1

1

2-Cyclopenten-1-one, 3-ethyl-2-methyl-

III-13

2289.

78210-63-6

1

0

0

2-Cyclopenten-1-one, 3-ethyl-4-hydroxy-

III-13

2290.

1

0

0

2-Cyclopenten-1-one, 3-ethyl-4-methyl-

III-13

2291.

1

0

0

2-Cyclopenten-1-one, 3-ethyl-5-methyl-

III-13

2292.

5870-63-3

0

1

0

2-Cyclopenten-1-one, 3-hydroxy-2-methyl-

2293.

2758-18-1

1

1

1

2-Cyclopenten-1-one, 3-methyl-

III-13

2294.

3727-35-3

1

1

1

2-Cyclopenten-1-one, 3-methyl-2-(2-oxopropyl)-

III-13

1

0

0

2-Cyclopenten-1-one, 3-methyl-2-(1,3-pentadienyl)-

III-13

488-10-8

0

1

0

2-Cyclopenten-1-one, 3-methyl-2-(2-pentenyl)-, (Z)-

III-13

1

0

0

2-Cyclopenten-1-one, 3-(2-oxopropyl)-

III-13

3810-26-2

1

0

0

2-Cyclopenten-1-one, 3-phenyl-

III-13

2295.
2296.
2297.
2298.

II.A-5, III-13

88

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2299.

35953-18-5

1

0

0

2-Cyclopenten-1-one, 3-propyl-

2300.

30434-65-2

0

1

0

2-Cyclopenten-1-one, 3,4,4-trimethyl-

1

0

0

2-Cyclopenten-1-one, 4-ethyl-2-hydroxy-

II.A-5, III-13
II.A-5, III-13

2301.
2302.

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13
III-13

1

0

0

2-Cyclopenten-1-one, 4-ethyl-2-hydroxy-3-methyl-

2303.

71278-13-2

1

0

0

2-Cyclopenten-1-one, 4-ethyl-2-methyl-

2304.

10288-24-1

1

0

0

2-Cyclopenten-1-one, 4-hydroxy-3-methyl-

2305.

23415-96-7

1

0

0

2-Cyclopenten-1-one, 4-methyl-

2306.

66309-81-7

1

0

0

2-Cyclopenten-1-one, 4-methyl-3-(1-propenyl)-

1

0

0

2-Cyclopenten-1-one, 5-ethyl-2-hydroxy-3-methyl-

II.A-5, III-13

2307.

III-13
II.A-5, III-13
III-13
III-13

2308.

70919-26-5

1

0

0

2-Cyclopenten-1-one, 5-hydroxy-

II.A-5, III-13

2309.

70919-27-6

1

0

0

2-Cyclopenten-1-one, 5-hydroxy-3-methyl-

II.A-5, III-13

2310.

14963-40-7

1

0

0

2-Cyclopenten-1-one, 5-methyl-

2311.

14320-37-7

1

0

0

3-Cyclopenten-1-one

III-13

0

1

0

3-Cyclopenten-1-one, 3-(1-methylethyl)-

III-13

2312.

III-13

2313.

1630-94-0

1

0

0

Cyclopropane, 1,1-dimethyl-

I.C-1

2314.

2511-95-7

1

0

0

Cyclopropane, 1,2-dimethyl-

I.C-1

2315.

930-18-7

1

0

0

Cyclopropane, 1,2-dimethyl-, (Z)-

I.C-1

2316.

2402-06-4

1

0

0

Cyclopropane, 1,2-dimethyl-, (E)-

I.C-1

2317.

22059-21-8

0

1

0

Cyclopropanecarboxylic acid, 1-amino-

2318.

91465-08-6

0

1

0

Cyclopropanecarboxylic acid, 3-(2-chloro-3,3,3trifluoro-1-propenyl)-2,2-dimethyl-, cyano(3phenoxyphenyl)methyl ester {λ-Cyhalothrin®}

2319.

52315-07-8

0

1

0

Cyclopropanecarboxylic acid, 3-(2,2dichloroethenyl)-2,2-dimethyl-, cyano(3phenoxyphenyl)methyl ester
{Cypermethrin®}

IV.A-3, XII-2
V-3, XI-1, XVIII.B-3, XXI-3

Cl

CH3

H3C

O
O

Cl

CN

O

V-3, X-2, XI-1, XVIII.B-3, XXI-3
2320.

67375-30-8

0

1

0

Cyclopropanecarboxylic acid, 3-(2,2dichloroethenyl)-2,2-dimethyl-, cyano(3phenoxyphenyl)methyl ester
{α-Cypermethrin®}

2321.

121-29-9

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(3methoxy-2-methyl-3-oxo-1-propenyl)-, 2-methyl-4oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester
{Pyrethrin II®}

2322.

7696-12-0

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2methyl-1-propenyl)-, (1-cyclohexene-1,2dicarboximido)methyl ester
{Tetramethrin®}

V-3, X-2, XI-1, XVIII.B-3, XXI-3

V-3, XXI-3

O
CH3

H3C

CH3

N
O

H3C

O
O

V-3, X-2, XXI-3
2323.

121-21-1

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2,4pentadienyl)-2-cyclopenten-1-yl ester
{Pyrethrin I®}

2324.

10453-86-8

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2methylpropenyl)-, (5-phenylmethyl-3furanyl)methyl ester
{Resmethrin®}

V-3, XVIII.B-3, XXI-3

XXI-3

89

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

2325.

CAS No.

S

T

S
T

52918-63-5

0

1

0

Name (per CA Collective Index)
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2dibromoethenyl)-, cyano(3-phenoxyphenyl)methyl
ester
{Deltamethrin®}

Chapter
Table

Selected structures

Br

H3C

CH3

O
O

Br

CN

O

V-3, X-2, XI-1, XVIII.B-3, XXI-3
2326.

52645-53-1

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3dichloroethenyl-, (3-phenoxyphenyl)methyl ester
{Permethrin®; Spartan®}

Cl

H3C

CH3

O
O

Cl
O

V-3, X-2, XVIII.B-3, XXI-3
2327.

68359-37-5

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2,2dichloroethenyl)-, cyano(4-fluoro-3phenoxyphenyl)methyl ester
{Cyfluthrin®}

F
Cl

H3C

CH3

O
O

Cl

CN

O

V-3, X-2, XI-1, XVIII.B-3, XXI-3
2328.

97-41-6

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2methylpropenyl)-, ethyl ester

V-3

2329.

5460-63-9

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2methylpropenyl)-, methyl ester

V-3

2330.

25402-06-6

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2methyl-1-propenyl)-, 3-(2-butenyl)-2-methyl-4-oxo2-cyclopenten-1-yl ester
{Cinerin I®}

XXI-3

2331.

4466-14-2

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2pentenyl)-2-cyclopenten-1-yl ester {Jasmolin 1®}

XXI-3

2332.

584-79-2

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2methylpropenyl)-, 2-(1-propenyl)-4-hydroxy-3methyl-2-cyclopenten-1-one ester {Allethrin®}

O

O

O

2333.

66841-25-6

0

1

0

Cyclopropanecarboxylic acid, 2,2-dimethyl-3(1,2,2,2-tetrabromoethyl)-, cyano(3phenoxyphenyl)methyl ester
{Tralomethrin®}

2334.

39515-41-8

1

1

1

Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl
cyano(3-phenoxyphenyl)methyl ester
{Fenpropathrin®, Danitol®}

V-3, XXI-3
XI-2, XXI-3

XI-2, XXI-3
2335.

82657-04-3

0

1

0

Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3trifluoro-1-propenyl]-2,2-dimethyl-, (2-methyl[1,1'biphenyl]-3-yl)methyl ester, (1R,3R)-rel{Bifenthrin®, Biphenthrin®}

2336.

17219-23-7

0

1

0

Cyclopropanecarboxylic acid, 2,3-dimethyl-

2337.

32809-16-8

0

1

0

1,2-Cyclopropanedicarboximide, N (3,5dichlorophenyl)-1,2-dimethyl{Procymidone®}

XXI-3

IV.A-3
O

N

O

2338.

18383-59-0

0

1

0

Cyclopropanemethanol, 2,2-dimethyl-3-(2methylpropenyl){chrysanthemyl alcohol}

XVIII.B-3,
XXI-3

Cl

Cl

II.A-5
OH

90

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2339.

50906-50-8

0

1

0

9,19-Cyclostigmast-24(28)-en-3-ol, 4,14-dimethyl-,
(3β,4α,5α,24Z)-

2340.

89288-59-5

0

1

0

4,13-Cyclotetradecadiene-1,3-diol, 8-hydroperoxy1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1S(1R*,3S*,4E,8R*,12R*,13E)]-

Name (per CA Collective Index)

II.B-2
H3C

89362-05-0

0

1

0

4,13-Cyclotetradecadiene-1,3-diol, 8-hydroperoxy1,5-dimethyl-9-methylene-12-(1-methylethyl)-, [1R(1R*,3R*,4E,8S*,12S*,13E)]-

OH
9

11

8

6

102734-57-6

0

1

0

12

13

1

4

CH3
2

5

3

CH3

OH

7

H3C

II.A-5

CH3
OH

10

H2C

12

9

11

8

6

HOO

2342.

II.A-5

CH3

10

H2C

HOO

2341.

1

13

CH3

4

2

5

3

CH3

OH

7

5,10-Cyclotetradecadiene-1,2,7,9-tetrol, 1,5,9trimethyl-12-(1-methylethyl)-, [1S(1R*,2R*,5E,7S*,9R*,10E,12R*)]-

H3C

II.A-5

CH3

OH

OH

10
12

9

H3C

1

6

8

4

7

CH3

2

5

OH

3

OH

2343.

89362-09-4

0

1

0

Chapter
Table

Selected structures

CH3

II.A-5

4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9methylene-12-(1-methylethyl)-, [1R(1R*,3R*,4E,8S*,12S*,13E)]-

9

11

8

6

1

13

OH

4

5

HO

14

12

10

2

3

7

OH

2344.

91200-13-4

0

1

0

4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9methylene-12-(1-methylethyl)-, [1S(1R*,3S*,4E,8S*,12R*,13E)]-

II.A-5
14

12

10
9

11

8

6

1

13

OH

4
5

HO

2

3

7

OH

2345.

80802-00-2

0

1

0

4,13-Cyclotetradecadiene-1,3,8-triol, 1,5-dimethyl-9methylene-12-(1-methylethyl)-

II.A-5
14

12

10
9

11

8

6

1

13

OH

4
5

HO

2

3

7

OH

2346.

91163-46-1

0

1

0

5,9-Cyclotetradecadiene-1,4,8-triol, 4,8-dimethyl-14methylene-11-(1-methylethyl)-, [1S(1R*,4R*,5E,8S*,9E,11R*)]-

H3C

9

13

H2C
14

12

1

3

HO

II.A-5

CH3
OH

11

8

10

CH3

5

7

4

2

6

OH

H3C

2347.

90660-18-7

0

1

0

4,9-Cyclotetradecadien-1-one, 6,8-dihydroxy-4,8dimethyl-14-methylene-11-(1-methylethyl)-, [6R(4E,6R*,

II.A-5, III-13

2348.

119613-98-8

0

1

0

5,10-Cyclotetradecadien-1-one, 7,9-dihydroxy-7,11dimethyl-4-(1-methylethyl)-, [4S(4R*,5E,7R*,9S*,10E)]-

II.A-5, III-13

2349.

1786-12-5

0

1

0

Cyclotetradecane, 1,7,11-trimethyl-4-(1methylethyl)-

H3C

2
4

7

I.C-1

CH3

6

H3C

5

3

CH3
1

10

8

11
9

CH3

2350.

150405-76-8

0

1

0

1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-

I.C-1

91

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2351.

101159-08-4

1

1

1

1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl14-(1-methylethyl){cembrene}

I.C-1

2352.

1898-13-1

0

1

0

1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl14-(1-methylethyl)-, [S- (E,Z,E,E)]-

I.C-1

0

1

0

1,3,6,11-Cyclotetradecatetraene, 3,7,11-trimethyl14-(1-methylethyl)-

2353.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.C-1
11

3

14

1
6

7

2354.

0

1

0

5,8,11,14-Cyclotetradecatetraene, 1.5.9-trimethyl12-(1-methylethyl)-

I.C-1
14
9

1

12
11

8

2355.

101159-07-3

0

1

0

1,4,7,10-Cyclotetradecatetraene, 1,7,11-trimethyl-4(1-methylethenyl)-

2356.

39815-66-2

0

1

0

2,4,9,13-Cyclotetradecatetraen-1-ol, 3,9,13trimethyl-6-(1-methylethyl)-

5

I.C-1
H3C

II.A-5

CH3
4

8

H3 C

9

CH3

3

6

7

5

12

10

2

13

1

CH3

OH

11

2357.

57688-99-0
59284-87-6

1

0

0

2,6,11-Cyclotetradecatriene-1,5-diol, 1,5,11trimethyl-8-(1-methylethyl)-

2358.

84367-90-8

1

1

1

2,6,11-Cyclotetradecatriene-1,5-diol, 1,5,11trimethyl-8-(1-methylethyl)-, [1S(1R*,2E,5R*,6E,8R*,11E)]-

II.A-5
II.A-5
10

8

11

5

9

4

1
13

84367-92-0

0

1

0

2,6,11-Cyclotetradecatriene-1,5-diol, 1,5,11trimethyl-8-(1-methylethyl)-, [1R(1R*,2E,5S*,6E,8S*,11E)]-

2360.

89288-60-8

0

1

0

4,7,13-Cyclotetradecatriene-1,3-diol, 9hydroperoxy-1,5,9-trimethyl-12-(1-methylethyl)-,
[1S-(1R*,3S*,4E,7E,9R*,12R*,13E)]-

OH

2

14

123

2359.

6

7

OH 3

II.A-5

H3C
H3C

OH
12

11

9

HOO

II.A-5

CH3

10

1

13
4

6

8

CH3
2

5

3

CH3

OH

7

2361.

89362-06-1

0

1

0

4,7,13-Cyclotetradecatriene-1,3-diol, 9hydroperoxy-1,5,9-trimethyl-12-(1-methylethyl)-,
[1S-(1R*,3S*,4E,7E,9S*,12R*,13E)]-

H3C

II.A-5

CH3
OH

H3C

10
12
11

9

HOO
8

1

13
4

6

CH3
2

5

3

CH3

OH

7

2362.

89362-07-2

0

1

0

4,7,13-Cyclotetradecatriene-1,3-diol, 9hydroperoxy-1,5,9-trimethyl-12-(1-methylethyl)-,
[1R-(1R*,3R*,4E,7E,9S*,12S*,13E)]-

H3C

II.A-5

CH3
OH

H3C
10
11

9

HOO

12

1

13
4

6

8

CH 3

5

3

CH3

OH

2

7

92

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

2363.

CAS No.

S

T

S
T

82003-46-1

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9trimethyl-12-(1-methylethyl)-, [1S(1R*,3S*,4E,7E,9R*,12R*,13E)]-

H3C

II.A-5

CH3

CH3

CH3
10
12
11

9

HO
8

1

13

6

4

5

OH

2
3

7

OH

CH3

2364.

89362-10-7

0

1

0

4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9trimethyl-12-(1-methylethyl)-, [1S(1R*,3S*,4E,7E,9R*,12R*,13E)]-

H3C

II.A-5

CH3

CH3

CH3
10
12
11

9

HO

1

13

6

8

4

5

OH

2
3

7

OH

CH3

2365.

89362-11-8

0

1

0

4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9trimethyl-12-(1-methylethyl)-, [1R(1R*,3R*,4E,7E,9R*,12R*,13E)]-

H3C

II.A-5

CH3

CH3

CH3
10
12
11

9

HO

1

13

6

8

4

5

OH

2
3

7

OH

CH3

2366.

91200-14-5

0

1

0

4,7,13-Cyclotetradecatriene-1,3,9-triol, 1,5,9trimethyl-12-(1-methylethyl)-, [1R(1R*,3R*,4E,7E,9R*,12R*,13E)]-

H3C

II.A-5

CH3

CH3

CH3
10
12
11

9

HO

6

8

1

13
4

5

OH

2
3

7

OH

CH3

2367.

116348-80-2

0

1

0

4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl12-(1-methylethyl)-, [1R(1R*,3S*,4E,8E,12S*,13E)]-

II.A-5

2368.

121916-90-3

0

1

0

4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl12-(1-methylethyl)-, [1S(1R*,3R*,4E,8E,12S*,13E)]-

II.A-5

2369.

122620-36-4

0

1

0

4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl12-(1-methylethyl)-, (1R*,3R*,4E,8E,12S*,13E)(±)-

II.A-5

2370.

57605-80-8

1

1

1

4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl12-(1-methylethyl)-, [1S(1R*,3S*,4E,8E,12S*,13E)]-

H3C

II.A-5

CH3
OH

10

H3C
9

11
6

8

12

1

13

CH3

4
5

2

3

7

CH3

2371.

57605-81-9

1

1

1

4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl12-(1-methylethyl)-, [1R1R*,3R*,4E,8E,12S*,13E)]-

H3C

OH

II.A-5

CH3
OH

10

H3C
9

11
6

8

12

1

13

CH3

4
5

3

CH3

OH

2

7

2372.

87554-04-9

0

1

0

4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl12-(1-methylethyl)-, [1S(1R*,3S*,4E,8E,12S*,13Z)]-

II.A-5

2373.

7220-78-2

1

1

1

4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl12-(1-methylethyl)-

II.A-5

2374.

2043-08-1

0

1

0

4,8,13-Cyclotetradecatriene-1,3-diol, 1,5,9-trimethyl12-(1-methylethyl)-, 3-acetate, [1S(1R*,3S*,4E,8E,12S*,13E)]-

II.A-5

2375.

146564-67-2

0

1

0

4,8,13-Cyclotetradecatriene-1,3-diol, 9(hydroxymethyl)-1,5-dimethyl-12-(1-methylethyl)-,
[1S-(1R*,3S*,4E,8Z,12R*,13E)]-

II.A-5

93

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
2376.

S

T

S
T

1

1

1

4,8,13-Cyclotetradecatriene-1-ol-3-one,-1,5,9trimethyl-12-(1-methylethyl)-,

II.A-5

Name (per CA Collective Index)

Chapter
Table

Selected structures

2377.

149403-67-8

0

1

0

4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9trimethyl-12-(1-methylethyl)-, [1S(1R*,3S*,4E,7S*,8E,12R*)]-

II.A-5

2378.

149403-68-9

0

1

0

4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9trimethyl-12-(1-methylethyl)-, [1S(1R*,3S*,4E,7R*,8E,12R*)]-

II.A-5

2379.

149403-69-0

0

1

0

4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9trimethyl-12-(1-methylethyl)-, [1R(1R*,3R*,4E,7R*,8E,12S*)]-

II.A-5

2380.

149403-70-3

0

1

0

4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9trimethyl-12-(1-methylethyl)-, [1R(1R*,3R*,4E,7S*,8E,12S*)]-

II.A-5

2381.

149403-71-4

0

1

0

4,8,13-Cyclotetradecatriene-1,3,7-triol, 1,5,9trimethyl-12-(1-methylethyl)-, [1R(1R*,3R*,4E,7S*,8Z,12S*)]-

II.A-5

2382.

146564-66-1

0

1

0

4,9,13-Cyclotetradecatriene-1,3,8-triol, 3,9,13trimethyl-6-(1-methylethyl)-, [1R(1R*,3R*,4E,6S*,8R*,9E,13E)]-

II.A-5

2383.

146609-95-2

0

1

0

4,9,13-Cyclotetradecatriene-1,3,8-triol, 3,9,13trimethyl-6-(1-methylethyl)-, [1R(1R*,3S*,4E,6S*,8R*,9E,13E)]-

II.A-5

2384.

60026-11-1

0

1

0

2,7,12-Cyclotetradecatrien-1-ol, 1,7-dimethyl-11methylene-4-(1-methylethyl)Chem. Abstracts numbering

II.A-5
H3C

CH3
CH3

H3C
7

6

4

5

8

2
3

1

12

10
11

9

13

14

OH

CH2

Chem. Abstracts numbering
2385.

87387-80-2

0

1

0

2,6,12-Cyclotetradecatrien-1-ol, 3,7,13-trimethyl-10(1-methylethenyl)-

II.A-5

2386.

119864-28-7

0

1

0

2,7,10-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4(1-methylethyl)-, [1R- (1R*,2E,4S*,7E,10E)]-

II.A-5

2387.

119944-62-6

0

1

0

2,7,10-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4(1-methylethyl)-, [1S-(1R*,2E,4R*,7E,10E)]-

II.A-5

2388.

25269-17-4

1

1

1

2,7,11-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4(1-methylethyl)-, [1R-(1R*,2E,4S*,7E,11E)]-

H3C
H3C

II.A-5

CH3
CH3

2

6
7

5

8

10

4

1

3

OH

12

11

9

13

CH3

2389.

80126-41-6

0

1

0

2,7,11-Cyclotetradecatrien-1-ol, 1,7,11-trimethyl-4(1-methylethyl)-, [1S-(1R*,2E,4R*,7E,11E)]-

H3C

2

6

H3C

II.A-5

CH3

7

5

8

10

4

CH3
1

3

OH

12
11

9

13

CH3

2390.

149312-90-3

0

1

0

2,6,11-Cyclotetradecatrien-1-one, 5,13-dihydroxy3,7,13-trimethyl-10-(1-methylethyl)-, [5S(2E,5R*,6E,10R*,11E,13R*)]-

II.A-5, III-13

94

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2391.

98064-74-5

0

1

0

2,5,11-Cyclotetradecatrien-1-one, 7,13-dihydroxy3,7,13-trimethyl-10-(1- methylethyl)-, [7S(2E,5E,7R*,10R*,11E,13R*)]-

II.A-5, III-13

2392.

149312-89-0

0

1

0

2,7,12-Cyclotetradecatrien-1-one, 9,11-dihydroxy3,9,13-trimethyl-6-(1-methylethyl)-, [6S(2E,6R*,7E,9R*,11S*,12E)]-

II.A-5, III-13

2393.

149403-72-5

0

1

0

2,7,12-Cyclotetradecatrien-1-one, 9,11-dihydroxy3,9,13-trimethyl-6-(1-methylethyl)-, [6S(2E,6R*,7E,9S*,11S*,12E)]-

II.A-5, III-13

2394.

41429-54-3

0

1

0

2,6,11-Cyclotetradecatrien-1-one, 13-hydroxy3,7,13-trimethyl-10-(1-methylethyl)-

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5
12

11

8
9

13

HO

2

1

14

7

10
4

3

6

5

O

2395.

0

1

0

13-Cyclotetradecene-1,3,4,8-tetrol-1-methyl-5,9dimethylene-12-(1-methylethyl)-

H3C

OH
10

H2C
9

11

8

6

12

1

13
4

7

OH
CH2

0

1

0

1-Cyclotetradecen-1-one, 3,6,13-triol-3,13-dimethyl7-methylene-10-(1-methylethyl)-

H3C

HO

II.A-5, III-13
12

10

7
6

OH

CH3

8

H2C

CH3
2

3

5

HO

2396.

II.A-5

CH3

9
4

13

11

OH

2
3

5

CH3

1

H3C

OH
O

2397.

62376-15-2

1

0

0

Cycloundecane, 1,1,2-trimethyl-

2398.

6753-98-6

0

1

0

1,4,8-Cycloundecatriene, 2,6,6,9-tetramethyl-,
(E,E,E)-

I.C-1
I.C-1

6

7
8

5
4

9
1

10

2

3

11

2399.

498-40-8

0

1

0

Cysteic acid

HO-SO2-CH2-CH(NH2)-COOH
IV.B-7, XVIII.A-1

2400.

52-90-4

1

1

1

L-Cysteine
{propanoic acid, 2-amino-3-mercapto- (R)}

HS-CH2-CH(NH2)-COOH

2401.

636-58-8

0

1

0

L-Cysteine, N-L-γ-glutamyl-

2402.

24645-67-8

0

1

0

Cystine

{propanoic acid, 2-amino-3,3’-dithiobis-}

IV.B-7, XVIII.A-1
IV.B-7, XVIII.A-1
{S-CH2-CH(NH2)-COOH}2
IV.B-7, XVIII.A-1

2403.

65-46-3

0

1

0

Cytidine

II.A-5, X-2, XII-2, XVII.B-2

{2(1H)-pyrimidinone, 4-amino-1-βD-ribofuranosyl-}
2404.

65-47-4

0

1

0

Cytidine 5'-(tetrahydrogen triphosphate)

2405.

63-37-6

0

1

0

5'-Cytidylic acid

II.A-5, X-2, XII-2, XVII.B-2
II.A-5, X-2, XII-2,
XVII.B-2

NH2
OH
O

P

N
O
N

OH

O

O

OH OH

95

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2406.

9044-61-5

0

1

0

Cytochrome b 559

XXII-2

2407.

9035-46-5

0

1

0

Cytochrome c6

XXII-2

0

1

0

Cytochrome oxidase

XXII-2
XXII-2

2408.

Name (per CA Collective Index)

Chapter
Table

Selected structures

2409.

62168-75-6

0

1

0

Deacylase

2410.

2363-88-4

0

1

0

2,4-Decadienal

2411.

25152-84-5

1

1

1

2,4-Decadienal, (E,E)-

2412.

63889-75-8

0

1

0

Decadienoic acid

2413.

59286-28-1

0

1

0

2,4-Decadienoic acid, 3-methyl-6-(1-methylethyl)-9oxo-, (Z,E)-

III-13, IV.A-3

2414.

58315-84-7

0

1

0

2,4-Decadienoic acid, 3-methyl-6-(1-methylethyl)-9oxo-, [S-(E,E)]-

III-13, IV.A-3

2415.

59262-52-1

0

1

0

2,7-Decadienoic acid, 3-methyl-6-(1-methylethyl)-9oxo-, (E,E)-

III-13, IV.A-3

2416.

158815-70-4

0

1

0

4,9-Decadienoic acid, 3-hydroxy-3-methyl-6-(1methylethyl)-9-(tetrahydro-5-oxo-2-furanyl)-

II.A-5, IV.A-3

2417.

160115-53-7

0

1

0

4,9-Decadienoic acid, 3-hydroxy-3-methyl-6-(1methylethyl)-9-(tetrahydro-5-oxo-2-furanyl)-,
methyl ester

II.A-5, V-3

2418.

112-31-2

1

1

1

Decanal

2419.

124-18-5

1

1

1

Decane

2420.

61193-21-3

1

0

0

2421.

6975-98-0

0

1

0

2422.

13151-34-3

1

0

2423.

13151-35-4

1

0

2424.

111-20-6

1

2425.

110-40-7

0

2426.

334-48-5

2427.

110-38-3

2428.

III-12
III-12
{sebacic acid}

{capraldehyde}

IV.A-3

H3C-(CH2)8-CH=O

III-12

H3C-(CH2)8-CH3

I.A-10

Decane, methyl-

C10H21-CH3

I.A-10

Decane, 2-methyl-

H3C-CH(CH3)-(CH2)7-CH3

I.A-10

0

Decane, 3-methyl-

H3C-CH2-CH(CH3)-(CH2)6-CH3

I.A-10

0

Decane, 5-methyl-

H3C-(CH2)4-CH(CH3)-(CH2)3-CH3

I.A-10

1

1

Decanedioic acid

HOOC-(CH2)8-COOH

IV.A-3

1

0

Decanedioic acid, diethyl ester

H5C2-OOC-(CH2)8-COO-C2H5

1

1

1

Decanoic acid

1

1

1

Decanoic acid, ethyl ester

5601-60-5

0

1

0

Decanoic acid, 8-methyl-

2429.

110-42-9

0

1

0

Decanoic acid, methyl ester

2430.

70898-23-6

1

1

1

Decanoic acid, 3,7,11,15,19,23,27,31,35nonamethyl-2,6,10,14,18,22,26,30,34hexatriacontanonaenyl ester, (all-E)-

V-3

2431.

70898-24-7

0

1

0

Decanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester, [R-[R*,R*-(E)]]-

V-3

2432.

112-30-1

1

1

1

1-Decanol

2433.

693-54-9

1

1

1

2-Decanone

2434.

9027-22-9

0

1

0

Decarboxylase

XXII-2

2435.

9036-20-8

0

1

0

Decarboxylase, adenosylmethionine

XXII-2

2436.

9024-77-5

0

1

0

Decarboxylase, arginine

XXII-2

2437.

9024-58-2

0

1

0

Decarboxylase, glutamate

XXII-2

2438.

37259-67-9

0

1

0

Decarboxylase, glycine

XXII-2

2439.

9024-60-6

0

1

0

Decarboxylase, ornithine

XXII-2

2440.

9001-04-1

0

1

0

Decarboxylase, pyruvate

XXII-2

2441.

9024-70-8

0

1

0

Decarboxylase, uroporphyrinogen

XXII-2

{capric acid}
{ethyl caprate}

H3C-(CH2)8-COOH

V-3

IV.A-3, XXI-3

H3C-(CH2)8-COO-C2H5

V-3
IV.A-3

H3C-(CH2)8-COO-CH3

{capric alcohol}
{methyl octyl ketone}

H3C-(CH2)8-CH2OH

V-3

II.A-5, XXI-3

H3C-(CH2)7-CO-CH3

III-13

96

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2442.

63892-04-6

0

1

0

2,7,9-Decatrienoic acid, 3,9-dimethyl-6-(1methylethyl)-, (E,E)-

2443.

2497-25-8

0

1

0

2-Decenal, (Z)-

2444.

3913-71-1

0

1

0

2-Decenal, (E)-

2445.

872-05-9

1

1

1

1-Decene

H2C=CH-(CH2)7-CH3

1

0

0

1-Decene, 5-methyl-

H2C=CH-(CH2)2-CH(CH3)-(CH2)4-CH3 I.B-1

2447.

6816-17-7

0

1

0

2-Decene

H3C-CH=CH-(CH2)6-CH3

2448.

26446-27-5

0

1

0

Decenoic acid

2449.

60924-66-5

0

1

0

4-Decenoic acid, 3-hydroxy-3-methyl-6-(1methylethyl)-9-oxo-

II.A-5, III-13, IV.A-3

2450.

129777-23-7

0

1

0

4-Decenoic acid, 3-hydroxy-3-methyl-6-(1methylethyl)-9-oxo-, [R-[R*,S*-(E)]]-

II.A-5, III-13, IV.A-3

2451.

77288-98-3

0

1

0

6-Decen-2-one, 8,10-dihydroxy-8-methyl-5-(1methylethyl)-

II.A-5, III-13, IV.A-3

2452.

9001-03-0

0

1

0

Dehydratase, carbonate

XXII-2

2453.

9024-34-4

0

1

0

Dehydratase, threonine

XXII-2

2454.

9035-82-9

0

1

0

Dehydrogenase

XXII-2

2455.

9001-40-5

0

1

0

Dehydrogenase, glucose 6-phosphate

XXII-2

2456.

9001-46-1

0

1

0

Dehydrogenase, glutamate

XXII-2

2457.

9029-12-3

0

1

0

Dehydrogenase, glutamate (nicotinamide adenine
dinucleotide (phosphate))

XXII-2

0

1

0

Dehydrogenase, glutamic acid

XXII-2

2446.

2458.

Name (per CA Collective Index)

Chapter
Table

Selected structures

IV.A-3
H3C-(CH2)6-CH=CH-CH=O

III-12
III-12
I.B-1

I.B-1

{3 isomers detected}

IV.A-3

2459.

9026-38-4

0

1

0

Dehydrogenase, glutathione (ascorbate)

XXII-2

2460.

9001-50-7

0

1

0

Dehydrogenase, glyceraldehyde phosphate

XXII-2

2461.

9028-13-1

0

1

0

Dehydrogenase, homoserine

XXII-2

2462.

9001-58-5

0

1

0

Dehydrogenase, isocitrate

XXII-2

2463.

9028-48-2

0

1

0

Dehydrogenase, isocitrate (nicotinamide adenine
dinucleotide phosphate)

XXII-2

2464.

9001-64-3

0

1

0

Dehydrogenase, malate

XXII-2

2465.

56941-16-3

0

1

0

Dehydrogenase, malate (decarboxylating)
(nicotinamide adenine dinucleotide (phosphate))

XXII-2

2466.

37250-19-4

0

1

0

Dehydrogenase, malate (nicotinamide adenine
dinucleotide phosphate)

XXII-2

2467.

9028-47-1

0

1

0

Dehydrogenase, malate (oxalacetatedecarboxylating) (nicotinamide adenine
dinucleotide phosphate)

XXII-2

2468.

9029-14-5

0

1

0

Dehydrogenase, methylenetetrahydrofolate

XXII-2

2469.

37256-31-8

0

1

0

Dehydrogenase, nicotine

XXII-2

2470.

9001-82-5

0

1

0

Dehydrogenase, phosphogluconate

XXII-2

2471.

9073-95-4

0

1

0

Dehydrogenase, phosphogluconate
(decarboxylating)

XXII-2

2472.

9050-70-8

0

1

0

Dehydrogenase, proline

XXII-2

2473.

9028-28-8

0

1

0

Dehydrogenase, quinate

XXII-2

2474.

9079-67-8

0

1

0

Dehydrogenase, reduced nicotinamide adenine
dinucleotide

XXII-2

97

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2475.

9032-20-6

0

1

0

Dehydrogenase, reduced nicotinamide adenine
dinucleotide (phosphate) (quinone)

XXII-2

2476.

37256-36-3

0

1

0

Dehydrogenase, reduced nicotinamide adenine
dinucleotide (quinone)

XXII-2

2477.

37256-37-4

0

1

0

Dehydrogenase, reduced nicotinamide adenine
dinucleotide phosphate (quinone)

XXII-2

2478.

9001-68-7

0

1

0

Dehydrogenase, reduced nicotinamide adenine
dinucleotide phosphate

XXII-2

2479.

9026-87-3

0

1

0

Dehydrogenase, shikimate

XXII-2

2480.

9002-02-2

0

1

0

Dehydrogenase, succinate

XXII-2

2481.

9054-84-6

0

1

0

Dehydrogenase, xanthine

XXII-2

2482.

159844-35-6

0

1

0

Deoxyribonucleic acid (Arabidopsis thaliana clone
TAY029 gene UbcAt3 ubiquitin-carrier enzyme E 2
messenger RNA-complementary plus 5'- and 3'flanking region fragment)

XXII-2

2483.

141712-74-5

0

1

0

Deoxyribonucleic acid (Arabidopsis thaliana strain
Heynhold glycerol phosphate acyltransferase
messenger RNA-complementary)

XXII-2

2484.

140812-74-4

0

1

0

Deoxyribonucleic acid (Nicotiana plumbaginifolia
gene pma1 plus 5'- and 3'-flanking region
fragment)

XXII-2

2485.

130061-32-4

0

1

0

Deoxyribonucleic acid (Nicotiana sylvestris clone
NySS4 ribulose diphosphate carboxylase small
subunit gene)

XXII-2

2486.

144997-82-0

0

1

0

Deoxyribonucleic acid (Nicotiana sylvestris clone
yaDC12/yaDC17 gene psaDa protein D 2
messenger RNA-complementary)

XXII-2

2487.

155317-25-2

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum clone
NeIF-4A11 protein formation initiation factor eIF
4A messenger RNA complementary plus 5'- and
3'-flanking region fragment)

XXII-2

2488.

155317-10-5

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum clone
NeIF-4A13 protein formation initiation factor eIF
4A messenger RNA complementary plus 5'- and
3'-flanking region fragment)

XXII-2

2489.

155317-11-6

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum clone
NeIF-4A14 protein formation initiation factor eIF
4A messenger RNA complementary plus 5'- and
3'-flanking region fragment)

XXII-2

2490.

155317-12-7

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum clone
NeIF-4A15 protein formation initiation factor eIF
4A messenger RNA complementary plus 5'- and
3'-flanking region fragment)

XXII-2

2491.

155317-13-8

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum clone
NeIF-4A6 protein formation initiation factor eIF 4A
messenger RNA complementary plus 5'- and 3'flanking region fragment)

XXII-2

2492.

155317-14-9

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum clone
NeIF-4A7 protein formation initiation factor eIF 4A
messenger RNA complementary plus 5'- and 3'flanking region fragment)

XXII-2

Name (per CA Collective Index)

Chapter
Table

Selected structures

98

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2493.

155317-15-0

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum clone
NeIF-4A9 protein formation initiation factor eIF 4A
messenger RNA complementary plus 5'- and 3'flanking region fragment)

XXII-2

2494.

160074-66-8

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum clone
Ubi.U4 gene Ubi.U4 polyubiquitin plus 5' and 3'
flanking region fragment)

XXII-2

2495.

160075-53-6

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum cv. SR1
leaf clone Ntfad3 ω-3 fatty acid desaturase mRNAcomplementary plus 5' and 3' flanking region
fragment)

XXII-2

2496.

131553-16-7

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum samsun
16.5-kilodalton protein messenger RNAcomplementary)

XXII-2

2497.

131553-15-6

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum samsun
chitinase isoenzyme messenger RNAcomplementary)

XXII-2

2498.

143514-65-2

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum samsun
clone NeIF-5A3 protein formation initiation factor
eIF 5A isoform gene)

XXII-2

2499.

141093-81-4

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum samsun
clone pMOG404 osmotin messenger RNAcomplementary)

XXII-2

2500.

143638-33-9

0

1

0

Deoxyribonucleic acid (Nicotiana tabacum samsun
clone pTOL1 osmotin messenger RNAcomplementary)

XXII-2

2501.

143341-52-0

0

1

0

Deoxyribonucleic acid (tobacco 1-109-extensin-like
protein precursor-specifying)

XXII-2

2502.

152619-15-3

0

1

0

Deoxyribonucleic acid (tobacco chitinase acidic
isoenzyme III messenger RNA-complementary
plus 5'- and 3'-flanking region fragment)

XXII-2

2503.

152619-16-4

0

1

0

Deoxyribonucleic acid (tobacco chitinase basic
isoenzyme III messenger RNA-complementary
plus 5'- and 3'-flanking region fragment)

XXII-2

2504.

142978-98-1

0

1

0

Deoxyribonucleic acid (tobacco chloroplast clone
L27-1 ribosome protein L 27 messenger RNAcomplementary)

XXII-2

2505.

139872-58-5

0

1

0

Deoxyribonucleic acid (tobacco clone .lambda.5A
gene RB7 plus 5'- and 3'-flanking region fragment)

XXII-2

2506.

139872-57-4

0

1

0

Deoxyribonucleic acid (tobacco clone .lambda.5A
gene RB7)

XXII-2

2507.

128284-58-2

0

1

0

Deoxyribonucleic acid (tobacco clone
.lambda.CHN17 chitinase basic isoenzyme gene)

XXII-2

2508.

156553-68-3

0

1

0

Deoxyribonucleic acid (tobacco clone 59 gene chi-V
chitinase plus 5'- and 3'-flanking region fragment)

XXII-2

2509.

156553-69-4

0

1

0

Deoxyribonucleic acid (tobacco clone cA-3 gene
chi-V chitinase messenger RNA-complementary
plus 5'- and 3'-flanking region fragment)

XXII-2

2510.

155663-09-5

0

1

0

Deoxyribonucleic acid (tobacco clone cpb20-52
antifungal protein CPB 20 messenger RNAcomplementary plus 5'- and 3'-flanking region
fragment)

XXII-2

2511.

124757-79-5

0

1

0

Deoxyribonucleic acid (tobacco clone E22 protein
PR 5 gene)

XXII-2

Name (per CA Collective Index)

Chapter
Table

Selected structures

99

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2512.

148757-18-0

0

1

0

Deoxyribonucleic acid (tobacco clone G27.1/G27.2
gene Npg1 plus 5'- and 3'-flanking region
fragment)

XXII-2

2513.

158928-85-9

0

1

0

Deoxyribonucleic acid (tobacco clone lambda TFLO 4 gene NFL2 exon 1 fragment)

XXII-2

2514.

158928-86-0

0

1

0

Deoxyribonucleic acid (tobacco clone lambda TFLO 4 gene NFL2 exon 2 fragment)

XXII-2

2515.

158928-87-1

0

1

0

Deoxyribonucleic acid (tobacco clone lambda TFLO 4 gene NFL2 exon 3 fragment)

XXII-2

2516.

145137-42-4

0

1

0

Deoxyribonucleic acid (tobacco clone NtDAHPS-1
phospho-2-keto-3-deoxyheptonate aldolase
messenger RNA-complementary)

XXII-2

2517.

151876-45-8

0

1

0

Deoxyribonucleic acid (tobacco clone OMT3.4
catechol methyltransferase isoenzyme II
messenger RNA-complementary plus 5'- and 3'flanking region fragment)

XXII-2

2518.

128512-15-2

0

1

0

Deoxyribonucleic acid (tobacco clone pBSGlu39.1
endo-1,3-β-glucanase isoenzyme gene coding
region)

XXII-2

2519.

128512-16-3

0

1

0

Deoxyribonucleic acid (tobacco clone pBSGlu39.3
endo-1,3-β-glucanase isoenzyme gene coding
region)

XXII-2

2520.

147626-92-4

0

1

0

Deoxyribonucleic acid (tobacco clone pcGS2-17
glutamine synthetase isoenzyme 2 messenger
RNA-complementary)

XXII-2

2521.

128512-19-6

0

1

0

Deoxyribonucleic acid (tobacco clone pGL31 endo1,3-β-glucanase isoenzyme messenger RNAcomplementary)

XXII-2

2522.

128512-20-9

0

1

0

Deoxyribonucleic acid (tobacco clone pGL36 endo1,3-β-glucanase isoenzyme messenger RNAcomplementary)

XXII-2

2523.

128512-21-0

0

1

0

Deoxyribonucleic acid (tobacco clone pGL43 endo1,3-β-glucanase isoenzyme messenger RNAcomplementary)

XXII-2

2524.

103469-25-6

0

1

0

Deoxyribonucleic acid (tobacco clone PROB12
protein TL messenger RNA-complementary)

XXII-2

2525.

158928-82-6

0

1

0

Deoxyribonucleic acid (tobacco clone pTGF220
gene NFL1 exon 1 fragment)

XXII-2

2526.

158928-83-7

0

1

0

Deoxyribonucleic acid (tobacco clone pTGF220
gene NFL1 exon 2 fragment)

XXII-2

2527.

158928-84-8

0

1

0

Deoxyribonucleic acid (tobacco clone pTGF220
gene NFL1 exon 3 fragment)

XXII-2

2528.

141002-75-7

0

1

0

Deoxyribonucleic acid (tobacco clone pVK5 osmotin
messenger RNA-complementary)

XXII-2

2529.

150001-42-6

0

1

0

Deoxyribonucleic acid (tobacco clone TSC81
ribosome protein L 17 messenger RNAcomplementary plus 5'- and 3'-flanking region
fragment)

XXII-2

2530.

128512-25-4

0

1

0

Deoxyribonucleic acid (tobacco endo-1,3-βglucanase isoenzyme messenger RNAcomplementary)

XXII-2

2531.

143341-55-3

0

1

0

Deoxyribonucleic acid (tobacco extensin-like protein
107-amino acid fragment-specifying)

XXII-2

Name (per CA Collective Index)

Chapter
Table

Selected structures

100

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2532.

143341-56-4

0

1

0

Deoxyribonucleic acid (tobacco extensin-like protein
81-amino acid fragment-specifying)

XXII-2

2533.

160936-44-7

0

1

0

Deoxyribonucleic acid (tobacco leaf curl virus coat
protein gene)

XXII-2

2534.

141004-11-7

0

1

0

Deoxyribonucleic acid (tobacco ribosome protein L
2 messenger RNA-complementary plus 5'- and 3'flanking region fragment)

XXII-2

2535.

143513-68-2

0

1

0

Deoxyribonucleic acid (tobacco strain NK326 gene
oee2-A plus 5'- and 3'-flanking region fragment)

XXII-2

2536.

143513-69-3

0

1

0

Deoxyribonucleic acid (tobacco strain NK326 gene
oee2-A)

XXII-2

2537.

149309-58-0

0

1

0

Deoxyribonucleic acid (tobacco thioredoxin h2 gene
plus 5'- and 3'-flanking region fragment)

XXII-2

2538.

140114-22-3

0

1

0

Deoxyribonucleic acid (tobacco thioredoxin
messenger RNA-complementary plus 5'- and 3'flanking region fragment)

XXII-2

2539.

141712-75-6

0

1

0

Deoxyribonucleic acid, (Arabidopsis thaliana strain
Heynhold glycerol phosphate acyltransferase
messenger RNA-complementary plus 5'- and 3'flanking region fragment)

XXII-2

2540.

148037-15-4

0

1

0

Deoxyribonucleic acid, (Arabidopsis thaliana
thioredoxin h messenger RNA-complementary
plus 5'- and 3'-flanking region fragment)

XXII-2

2541.

147533-09-3

0

1

0

Deoxyribonucleic acid, (Nicotiana alata clone
NaPRP3g12 proline-rich protein PRP 3 gene plus
5'- and 3'-flanking region fragment)

XXII-2

2542.

139860-37-0

0

1

0

Deoxyribonucleic acid, (Nicotiana plumbaginifolia
clone NeIF-4A2 protein formation initiation factor
eIF 4A messenger RNA-complementary plus 5'and 3'-flanking region fragment)

XXII-2

2543.

146150-24-5

0

1

0

Deoxyribonucleic acid, (Nicotiana plumbaginifolia
clone NeIF-4A2 protein formation initiation factor
eIF 4A messenger RNA-complementary)

XXII-2

2544.

140095-89-2

0

1

0

Deoxyribonucleic acid, (Nicotiana plumbaginifolia
clone NeIF-4A3 protein formation initiation factor
eIF 4A messenger RNA-complementary plus 5'and 3'-flanking region fragment)

XXII-2

2545.

146150-26-7

0

1

0

Deoxyribonucleic acid, (Nicotiana plumbaginifolia
clone NeIF-4A3 protein formation initiation factor
eIF 4A messenger RNA-complementary)

XXII-2

2546.

140360-04-9

0

1

0

Deoxyribonucleic acid, (Nicotiana plumbaginifolia
clone NeIF-5A2 protein formation initiation factor
eIF 5A isoform messenger RNA-complementary
plus 5'- and 3'-flanking region fragment)

XXII-2

2547.

143514-64-1

0

1

0

Deoxyribonucleic acid, (Nicotiana plumbaginifolia
clone NeIF-5A2 protein formation initiation factor
eIF 5A isoform messenger RNA-complementary)

XXII-2

2548.

141374-52-9

0

1

0

Deoxyribonucleic acid, (Nicotiana plumbaginifolia
clone pSOD3 copper-zinc superoxide dismutase
messenger RNA-complementary plus 5'- and 3'flanking region fragment)

XXII-2

2549.

143348-77-0

0

1

0

Deoxyribonucleic acid, (Nicotiana plumbaginifolia
clone pSOD3 copper-zinc superoxide dismutase
messenger RNA-complementary)

XXII-2

Name (per CA Collective Index)

Chapter
Table

Selected structures

101

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2550.

144997-81-9

0

1

0

Deoxyribonucleic acid, (Nicotiana sylvestris clone
yaDC12/yaDC17 gene psaDa protein D 2
messenger RNA-complementary plus 5'- and 3'flanking region fragment)

XXII-2

2551.

140110-39-0

0

1

0

Deoxyribonucleic acid, (Nicotiana tabacum samsun
clone NeIF-5A3 protein formation initiation factor
eIF 5A isoform gene plus 5'- and 3'-flanking region
fragment)

XXII-2

2552.

141093-82-5

0

1

0

Deoxyribonucleic acid, (Nicotiana tabacum samsun
clone pMOG404 osmotin messenger RNAcomplementary plus 5'- and 3'-flanking region
fragment)

XXII-2

2553.

141093-84-7

0

1

0

Deoxyribonucleic acid, (Nicotiana tabacum samsun
clone pMOG4041-226-osmotin-specifying plus 5'and 3'-flanking region fragment)

XXII-2

2554.

142978-99-2

0

1

0

Deoxyribonucleic acid, (tobacco chloroplast clone
L27-1 ribosome protein L 27 messenger RNAcomplementary plus 5'- and 3'-flanking region
fragment)

XXII-2

2555.

145093-14-7

0

1

0

Deoxyribonucleic acid, (tobacco clone EPSPS-1 5enolpyruvoylshikimate 3-phosphate synthase
messenger RNA-complementary plus 5'- and 3flanking region fragment)

XXII-2

2556.

139837-73-3

0

1

0

Deoxyribonucleic acid, (tobacco clone NtDAHPS-1
phospho-2-keto-3-deoxyheptonate aldolase
messenger RNA-complementary plus 5'- and 3'flanking region fragment)

XXII-2

2557.

128512-17-4

0

1

0

Deoxyribonucleic acid, (tobacco clone pBSGlu39.1
endo-1,3-β-glucanase isoenzyme gene coding
region plus 5'- and 3'-flanking region fragment)

XXII-2

2558.

128512-18-5

0

1

0

Deoxyribonucleic acid, (tobacco clone
pBSGlu39.3endo-1,3-β-glucanase isoenzyme
gene coding region plus 5'- and 3'-flanking region
fragment)

XXII-2

2559.

145735-56-4

0

1

0

Deoxyribonucleic acid, (tobacco clone pcGS2-17
glutamine synthetase isoenzyme 2 messenger
RNA-complementary plus 5'- and 3'-flanking
region fragment)

XXII-2

2560.

128512-22-1

0

1

0

Deoxyribonucleic acid, (tobacco clone pGL31 endo1,3-β- glucanase isoenzyme messenger RNAcomplementary plus 5'- and 3'-flanking region
fragment)

XXII-2

2561.

128512-23-2

0

1

0

Deoxyribonucleic acid, (tobacco clone pGL36 endo1,3-β-glucanase isoenzyme messenger RNAcomplementary plus 5'- and 3'-flanking region
fragment)

XXII-2

2562.

128512-24-3

0

1

0

Deoxyribonucleic acid, (tobacco clone pGL43 endo1,3-β-glucanase isoenzyme messenger RNAcomplementary plus 5'- and 3'-flanking region
fragment)

XXII-2

2563.

143341-58-6

0

1

0

Deoxyribonucleic acid, (tobacco clone pMG15
extensin-like protein messenger RNAcomplementary plus 5'- and 3'-flanking region
fragment)

XXII-2

Name (per CA Collective Index)

Chapter
Table

Selected structures

102

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2564.

128512-26-5

0

1

0

Deoxyribonucleic acid, (tobacco endo-1,3-βglucanase isoenzyme messenger RNAcomplementary plus 5'- and 3'-flanking region
fragment)

XXII-2

2565.

143341-53-1

0

1

0

Deoxyribonucleic acid, (tobacco extensin-like
protein 171-amino acid C-terminal fragmentspecifying plus 3'-flanking region fragment)

XXII-2

2566.

143341-54-2

0

1

0

Deoxyribonucleic acid, (tobacco extensin-like
protein 264-amino acid C-terminal fragmentspecifying plus 3'-flanking region fragment)

XXII-2

2567.

143341-57-5

0

1

0

Deoxyribonucleic acid, (tobacco extensin-like
protein 393-amino acid C-terminal fragmentspecifying plus 3'-flanking region fragment)

XXII-2

2568.

139637-37-9

0

1

0

Deoxyribonucleic acid, d(A-T-G-T-T-C-T-C-T-C-T-TT-T-A-A-T-G-G-T-G-G-T-T-C-T-T-T-A-G)

XXII-2

2569.

152789-83-8

0

1

0

Deoxyribonucleic acid, d(C-A-T-C-A-C-G-T-G-A-GA-T-A-A-G-A-G-C-C-G-C-C-A), double-stranded
complementary

XXII-2

2570.

152789-84-9

0

1

0

Deoxyribonucleic acid, d(T-A-A-A-G-T-C-A-A-A-GA-A-T-T-T-C-A-A-T-G-T-C-A-C-A), doublestranded complementary

XXII-2

2571.

67880-95-9

0

1

0

Desaturase, fatty acid ω3-

XXII-2

2572.

159965-67-0

0

1

0

Desaturase, fatty acid ω3- (tobacco clone Ntfad3)

XXII-2

2573.

107544-21-8

0

1

0

Desaturase, phytoene

2574.

9004-53-9

0

1

0

Dextrin

2575.

37340-89-9

0

1

0

Diaphorase

2576.

5385-75-1

1

0

0

Dibenz[a,e]aceanthrylene
{dibenzo[a,e]fluoranthene}

2577.

189-75-3

1

0

0

Dibenz[j,mno]aceanthrylene

I.E-6

2578.

71630-69-8

1

0

0

Dibenz[j,mno]aceanthrylene, methyl-

I.E-6

2579.

226-36-8

1

0

0

Dibenz[a,h]acridine

XVII.E-6

2580.

226-92-6

1

0

0

Dibenz[a,i]acridine

XVII.E-6

2581.

224-42-0

1

0

0

Dibenz[a,j]acridine

XVII.E-6

2582.

224-53-3

1

0

0

Dibenz[c,h]acridine

XVII.E-6

2583.

67775-07-9

1

0

0

Dibenzanthracene

2584.

53-70-3

1

0

0

Dibenz[a,h]anthracene

Name (per CA Collective Index)

Chapter
Table

Selected structures

XXII-2
II.A-5, VIII-3
XXII-2
I.E-6

I.E-6
{DB[a,h]A}

I.E-6

103

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2585.

224-41-9

1

0

0

Dibenz[a,j]anthracene

2586.

4607-33-4

1

0

0

Dibenzo[b,h][1]benzopyrano[2,3,4de][1,6]naphthyridine

XVII.E-8

2587.

34442-52-9

1

0

0

1H-Dibenzo[a,c]carbazole

XVII.E-6

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.E-6

c

g f

h

a

i

N
H

2588.

207-84-1

1

1

1

7H-Dibenzo[a,g]carbazole

2589.

239-64-5

1

0

0

13H-Dibenzo[a,i]carbazole

XVII.E-6
XVII.E-6

c

g f

h

a

i

N
H

2590.

194-59-2

1

0

0

7H-Dibenzo[c,g]carbazole

XVII.E-6
c

g f

h

a

i

N
H

2591.

28641-62-5

1

0

0

5H-Dibenzo[c,g]carbazole

2592.

189-64-0

1

0

0

Dibenzo[b,def]chrysene

2593.

191-26-4

1

0

0

Dibenzo[def,mno]chrysene

2594.

64760-24-3

1

0

2595.

41699-10-9

1

2597.

191-30-0

2598.

191-68-4

2599.

1210-35-1

2596.

XVII.E-6
{dibenzo[a,h]pyrene}

I.E-6

{anthanthrene}

I.E-6

0

Dibenzo[def,mno]chrysene, dimethyl{at least 2 isomers in MSS}

I.E-6

0

0

Dibenzo[def,mno]chrysene, methyl{at least 2, possibly 3, isomers in MSS}

I.E-6

1

0

0

Dibenzo[def,mno]chrysene, 6-methyl-

I.E-6

1

0

0

Dibenzo[def,p]chrysene

I.E-6

1

0

0

Dibenzo[g,p]chrysene

I.E-6

1

0

0

5H-Dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-

III-13

{dibenzo[a,l]pyrene}

104

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

2600.

CAS No.

S

T

S
T

262-12-4

1

0

0

Name (per CA Collective Index)
Dibenzo[b,e][1,4]dioxin

8

X-2

1

O

7

2

6

3

O

5

2601.
2602.

35822-46-9

1

0

0

Dibenzo[b,e][1,4]dioxin, polychloro-

1

1

1

Dibenzo[b,e][1,4]dioxin, 1,2,3,4,6,7,8-heptachloro-

4

X-2, XVIII.B-3
X-2, XVIII.B-3

Cl
Cl

Cl

O

Cl

O

Cl
Cl

Cl

2603.

Chapter
Table

Selected structures

1

0

0

Dibenzo[b,e][1,4]dioxin, 1,2,3,4,6,7,9-heptachloro-

X-2, XVIII.B-3

2604.

39227-28-6

1

0

0

Dibenzo[b,e][1,4]dioxin, 1,2,3,4,7,8-hexachloro-

X-2, XVIII.B-3

2605.

57653-85-7

1

0

0

Dibenzo[b,e][1,4]dioxin, 1,2,3,6,7,8-hexachloro-

X-2, XVIII.B-3

2606.

19408-74-3

1

0

0

Dibenzo[b,e][1,4]dioxin, 1,2,3,7,8,9-hexachloro-

X-2, XVIII.B-3

2607.

40321-76-4

1

0

0

Dibenzo[b,e][1,4]dioxin, 1,2,3,7,8-pentachloro-

X-2, XVIII.B-3

2608.

1746-01-6

1

1

1

Dibenzo[b,e][1,4]dioxin, 2,3,7,8-tetrachloro-

X-2, XVIII.B-3

2609.

37871-00-4

1

0

0

Dibenzo[b,e][1,4]dioxin, heptachloro-

X-2, XVIII.B-3

2610.

34465-46-8

1

0

0

Dibenzo[b,e][1,4]dioxin, hexachloro-

X-2, XVIII.B-3

2611.

3268-87-9

1

0

0

Dibenzo[b,e][1,4]dioxin, octachloro-

X-2, XVIII.B-3

2612.

36088-22-9

1

0

0

Dibenzo[b,e][1,4]dioxin, pentachloro-

X-2, XVIII.B-3

2613.

41903-57-5

1

0

0

Dibenzo[b,e][1,4]dioxin, tetrachloro-

X-2, XVIII.B-3

2614.

60382-88-9

1

0

0

Dibenzofluoranthene
{at least two isomers in MSS}

I.E-6

2615.

203-18-9

1

0

0

Dibenzo[j,l]fluoranthene

I.E-6

2616.

239-60-1

1

0

0

13H-Dibenzo[a,i]fluorene

I.E-6

2617.

132-64-9

1

1

1

Dibenzofuran

{2,2’-biphenylene oxide}

1

X-2

2
3

O

4

2618.

1

0

0

Dibenzofuran, dimethyl-

X-2

2619.

1

0

0

Dibenzofuran, methyl-

X-2

2620.

1

0

0

Dibenzofuran, polychloro-

2621.

67562-39-4

1

1

1

Dibenzofuran, 1,2,3,4,6,7,8-heptachloro-

{dioxins}

X-2, XVIII.B-3
X-2, XVIII.B-3

2622.

55673-89-7

1

0

0

Dibenzofuran, 1,2,3,4,7,8,9-heptachloro-

X-2, XVIII.B-3

2623.

70648-26-9

1

0

0

Dibenzofuran, 1,2,3,4,7,8-hexachloro-

X-2, XVIII.B-3

2624.

91538-84-0

1

0

0

Dibenzofuran, 1,2,3,4,7,9-hexachloro-

X-2, XVIII.B-3

2625.

67517-48-0

1

0

0

Dibenzofuran, 1,2,3,4,8-pentachloro-

X-2, XVIII.B-3

2626.

57117-44-9

1

0

0

Dibenzofuran, 1,2,3,6,7,8-hexachloro-

X-2, XVIII.B-3

105

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2627.

72918-21-9

1

0

0

Dibenzofuran, 1,2,3,7,8,9-hexachloro-

X-2, XVIII.B-3

2628.

57117-41-6

1

0

0

Dibenzofuran, 1,2,3,7,8-pentachloro-

X-2, XVIII.B-3

2629.

7320-50-5

1

0

0

Dibenzofuran, 1-methyl-

2630.

60851-34-5

1

0

0

Dibenzofuran, 2,3,4,6,7,8-hexachloro-

X-2, XVIII.B-3

2631.

57117-31-4

1

0

0

Dibenzofuran, 2,3,4,7,8-pentachloro-

X-2, XVIII.B-3

2632.

83704-32-9

1

0

0

Dibenzofuran, 2,3,4,8-tetrachloro-

X-2, XVIII.B-3

2633.

51207-31-9

1

0

0

Dibenzofuran, 2,3,7,8-tetrachloro-

X-2, XVIII.B-3

1

0

0

Dibenzofuran, 1-methyl-

X-2

2635.

7320-51-6

1

0

0

Dibenzofuran, 2-methyl-

X-2

2636.

7320-52-7

1

0

0

Dibenzofuran, 3-methyl-

X-2

2637.

7320-53-8

1

0

0

Dibenzofuran, 4-methyl-

X-2

2638.

9062-95-1

1

0

0

Dibenzofuran, dimethyl-

X-2

2639.

38998-75-3

1

0

0

Dibenzofuran, heptachloro-

X-2, XVIII.B-3

2640.

55684-94-1

1

0

0

Dibenzofuran, hexachloro-

X-2, XVIII.B-3

2641.

60826-62-2

1

0

0

Dibenzofuran, methyl-

2642.

39001-02-0

1

0

0

Dibenzofuran, octachloro-

X-2, XVIII.B-3

2643.

30402-15-4

1

0

0

Dibenzofuran, pentachloro-

X-2, XVIII.B-3

2644.

30402-14-3

1

0

0

Dibenzofuran, tetrachloro-

2645.

3693-22-9

1

0

0

2-Dibenzofuranamine

2646.

4106-66-5

1

0

0

3-Dibenzofuranamine

2647.

216-00-2

1

0

0

Dibenzo[a,c]naphthacene

I.E-6

2648.

227-04-3

1

0

0

Dibenzo[a,j]naphthacene

I.E-6

2649.

193-09-9

1

0

0

Dibenzo[de,qr]naphthacene
{naphtho[2,3-d]pyrene}

I.E-6

2650.

192-51-8

1

0

0

Dibenzo[fg,op]naphthacene

I.E-6

2634.

Name (per CA Collective Index)

Chapter
Table

Selected structures

X-2

X-2

X-2, XVIII.B-3
X-2, XII-2

NH2

O

X-2, XII-2

{dibenzo[e,l]pyrene}

2651.

26894-49-5

0

1

0

6H-Dibenzo[b,d]pyran-6-one, 3,7(3,9 or 7,9)dihydroxy-9(7 or 3)-methoxy-1-methyl-

VI-3, X-2,
IX.A-22

OCH3

OH

HO

O

O

106

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

2652.

CAS No.

S

T

S
T

29752-43-0

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

6H-Dibenzo[b,d]pyran-6-one, 9-methoxy-4a-methyl2,3,4,4a-tetrahydro-2,3,7-trihydroxy- (2α,3β,4aβ)-

VI-3,
X-2, IX.A-22

OCH 3

HO
OH
HO

O

O
CH3

2653.

641-38-3

0

1

0

6H-Dibenzo[b,d]pyran-6-one, 1-methyl-3,7,9trihydroxy-

VI-3, IX.A-22

OH

CH3
OH
HO

2654.

O

O

58615-36-4

1

0

0

Dibenzopyrene

I.E-6

2655.

132-65-0

1

1

1

Dibenzothiophene

XVIII.A-1

2656.

70021-47-5

0

1

0

Dibenzothiophene, dimethyl{at least four isomers detected}

XVIII.A-1

2657.

30995-64-3

1

1

1

Dibenzothiophene, methyl{at least four isomers detected}

XVIII.A-1

2658.

188-94-3

1

0

0

Diindeno[1,2,3-cd:1',2',3'-lm]perylene

2659.

309-00-2

1

1

1

1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10hexachloro-1,4,4a,5,8,8a-hexahydro-,
(1α,4α,4aβ,5α,8α,8aβ)- [endo, endo] {Aldrin®}

I.E-6

Cl
Cl
CCl2
Cl

CH2

XVIII.B-3,
XXI-3

Cl

2660.

465-73-6

0

1

0

1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10hexachloro-1,4,4a,5,8,8a-hexahydro-,
(1α,4α,4aβ,5β,8β,8aβ)- [endo, exo] {Isodrin®}

XVIII.B-3,
, XXI-3

2661.

60-57-1

1

1

1

2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-,
(1aα,2β,2aα,3β,6β,6aα,7β,7aα){Dieldrin®}

X-2,
XVIII.B-3,
XXI-3

2662.

72-20-8

1

1

1

2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-,
(1aα,2β,2aβ,3α,6α,6aβ,7β,7aα){Endrin®}

X-2,
XVIII.B-3,
XXI-3

2663.

119973-29-4

1

0

0

26,27-Dinorergosta-3,5-diene

2664.

119973-31-8

1

0

0

26,27-Dinorergosta-3,5,22-triene, (22E)-

I.C-1

2665.

119973-30-7

1

0

0

26,27-Dinorergost-3-ene, (5α)-

I.C-1

2666.

117210-53-4

0

1

0

2,7-Dioxabicyclo[2.2.1]heptane, 1,3-dimethyl-3-(4methyl-3-pentenyl)-, endo-

X-2

2667.

117305-90-5

0

1

0

2,7-Dioxabicyclo[2.2.1]heptane, 1,3-dimethyl-3-(4methyl-3-pentenyl)-, exo-

X-2

2668.

121927-15-9

0

1

0

13,14-Dioxabicyclo[10.2.2]hexadec-6-ene-2,3,5triol, 1,5-dimethyl-11-methylene-8-(1-methylethyl)-,
[1R-(1R*,2S*,3R*,5S*,

I.C-1

II.A-5, X-2

107

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

2669.

CAS No.

S

T

S
T

52886-15-4

0

1

0

2,9-Dioxabicyclo[3.3.1]nonan-4-ol, 1,3,3-trimethyl-6(1-methylethyl){2 isomers reported}

0

1

0

6,8-Dioxabicyclo[3.2.1]octane, 1,5-dimethyl{frontalin}

0

1

0

6,8-Dioxabicyclo[3.2.1]octane-7-methanol, 2-(1methylethyl)-α,5-dimethyl- [1α,2β,5α,7α(R*)]

2670.
2671.

58001-00-6

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, X-2
X-2
II.A-5, X-2

CH3
O
O
HO

CH3

CH3
CH3

2672.

58001-10-8

0

1

0

6,8-Dioxabicyclo[3.2.1]octane-7-methanol, 2-(1methylethyl)-α,α,5-trimethyl-, (2-endo,7-exo)-(±)-

II.A-5, X-2

CH3
O
O
HO
H3C

2673.

52992-36-6

0

1

0

6,8-Dioxabicyclo[3.2.1]octane-7-methanol, 2-(1methylethyl)-α,α,5-trimethyl-

2674.

37112-31-5

1

1

1

6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, (1S){levoglucosenone}

2675.

16279-34-8

1

0

0

1,4-Dioxane, 2-methyl-

2676.

162188-91-2

1

0

0

1,4-Dioxaspiro[4.5]decan-8-one, 7-(acetyloxy)7,9,9-trimethyl-, (±)-

CH3

CH3
CH3

II.A-5, X-2
O

III-13, X-2

O

O

X-2
OOC-CH3

H3C
8
9

H3C

5

7

CH3

6

O

2677.

41059-94-3

0

1

0

1

4

2

3

1,6-Dioxaspiro[4.5]dec-3-en-2-one, 3,4,7-trimethyl-

O
CH3

O
1

4

2

3

CH3

O

2679.

96-49-1

1

1

0

0

0

0

1,3-Dioxalane-4-methanol, 2,2-dimethyl-

1,3-Dioxalan-2-one

III-13

CH3

5

100-79-8

O

7
6

2678.

III-13

O

H3C

O

H3C

O

{ethylene glycol carbonate}
5

V-3

1
O
O

2
4

II.A-5, X-2

CH 2OH

O
3

2680.

931-40-8

1

0

0

1,3-Dioxalan-2-one, 4-(hydroxymethyl){glycerol carbonate}

V-3

2681.

108-32-7

1

1

1

1,3-Dioxalan-2-one, 4-methyl{1,2-propylene glycol carbonate}

V-3

2682.

9025-33-6

0

1

0

Dipeptidase, prolyl

1

0

0

Dipropoxymethane

67730-10-3

1

0

0

Dipyrido[1,2-a:3',2'-d]imidazol-2-amine {Glu-P-2}

2683.
2684.

XXII-2
(C3H7O)2=CH2

X-2
XVII.F-6

NH2
N
N
N

108

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

2685.

CAS No.

S

T

S
T

67730-11-4

1

0

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

Dipyrido[1,2-a:3',2'-d]imidazol-2-amine, 6-methyl{Glu-P-1}

XVII.F-6

NH2
N
N

N
CH3

2686.

484-73-1

1

0

0

5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione
{pyrocoll}

XVII.E-8

O

N
N
O

2687.

59017-02-6

2688.

1

0

0

5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione,
1,2,3,5a,8,10a-hexahydro-, (5aS-cis)-

XVII.E-8

1

0

0

5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione,
1,2,3,5a,8,10a-hexahydro-3-methyl-

XVII.E-8

2689.

71277-95-7

1

0

0

5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione,
methyl-

XVII.E-8

2690.

6708-06-1

1

0

0

5H,10H-Dipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione,
octahydro-

XVII.E-8

2691.

9054-89-1

0

1

0

Dismutase, superoxide

XXII-2

2692.

143352-40-3

0

1

0

Dismutase, superoxide (Nicotiana plumbaginifolia
clone pSOD3 copper-zinc protein moiety reduced)

XXII-2

2693.

5905-46-4

1

0

0

Disulfide, 1-propenyl propyl

2694.

110-81-6

1

0

0

Disulfide, diethyl

H3C-CH2-S-CH2-CH3

XVIII.A-1

2695.

624-92-0

1

1

1

Disulfide, dimethyl

H3C-S-S-CH3

XVIII.A-1

2696.

20333-39-5

1

0

0

Disulfide, ethyl methyl

XVIII.A-1

2697.

5905-47-5

1

0

0

Disulfide, methyl 1-propenyl

XVIII.A-1

2698.

2179-60-4

1

0

0

Disulfide, methyl propyl

2699.

21548-32-3

0

1

0

1,3-Dithietan-2-ylidenephosphoramidic acid, diethyl
ester
{Fosthietan®}

XVIII.A-1

XVIII.A-1
S
N

O

P

S

2700.

947-02-4

0

1

0

Dithiolan-2-ylidenephosphoramidic acid, diethyl
ester
{Cyolane®; Phosfolan®}

XVIII.A-1,
XXI-3

OC2H5

OC2H5

XVIII.A-1,
XXI-3

O
S
N

P

OC2H5

S
OC2H5

2701.

2702.

2439-01-2

0

1

0

1,3-Dithiolo[4,5-b]quinoxalin-2-one, 6-methyl{Quinomethionate®}

N

S

N

S

XVIII.A-1,
XXI-3

O

29564-66-7

0

1

0

Docosadienoic acid, (Z,Z)-

IV.A-3

2703.

629-97-0

1

1

1

Docosane

H3C-(CH2)20-CH3

I.A-10

2704.

1560-81-2

1

1

1

Docosane, 2-methyl-

(H3C)=CH-(CH2)19-CH3

I.A-10

2705.

72227-00-0

1

1

1

Docosane, 3-methyl-

H3C-CH2-CH(CH3)-(CH2)18-CH3

I.A-10

2706.

112-85-6

1

1

1

Docosanoic acid

H3C-(CH2)20-COOH

IV.A-3

2707.

17671-27-1

1

1

1

Docosanoic acid, docosyl ester

H3C-(CH2)20-COO-(CH2)21-CH3

V-3

2708.

42233-07-8

1

1

1

Docosanoic acid, dodecyl ester

H3C-(CH2)20-COO-(CH2)11-CH3

V-3

2709.

42233-14-7

1

1

1

Docosanoic acid, eicosyl ester

H3C-(CH2)20-COO-(CH2)19-CH3

V-3

2710.

5908-87-2

1

0

0

Docosanoic acid, ethyl ester

H3C-(CH2)20-COO-CH2-CH3

V-3

2711.

42233-15-8

1

1

1

Docosanoic acid, heneicosyl ester

H3C-(CH2)20-COO-(CH2)20-CH3

V-3

{behenic acid}

109

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2712.

121877-99-4

1

1

1

Docosanoic acid, heptacosyl ester

2713.

42233-12-5

1

1

1

2714.

55136-77-1

1

1

1

2715.

42233-11-4

1

1

2716.

42233-13-6

1

1

2717.

21511-31-9

1

2718.

24271-12-3

1

2720.

42233-10-3

2721.

42233-17-0

2722.

42233-09-0

2719.

2723.

Selected structures

Chapter
Table

H3C-(CH2)20-COO-(CH2)26-CH3

V-3

Docosanoic acid, heptadecyl ester

H3C-(CH2)20-COO-(CH2)16-CH3

V-3

Docosanoic acid, hexacosyl ester

H3C-(CH2)20-COO-(CH2)25-CH3

V-3

1

Docosanoic acid, hexadecyl ester

H3C-(CH2)20-COO-(CH2)15-CH3

V-3

1

Docosanoic acid, nonadecyl ester

H3C-(CH2)20-COO-(CH2)18-CH3

V-3

1

1

Docosanoic acid, octacosyl ester

H3C-(CH2)20-COO-(CH2)27-CH3

V-3

1

1

Docosanoic acid, octadecyl ester

H3C-(CH2)20-COO-(CH2)17-CH3

V-3

1

1

1

Docosanoic acid, pentacosyl ester

H3C-(CH2)20-COO-(CH2)24-CH3

V-3

1

1

1

Docosanoic acid, pentadecyl ester

H3C-(CH2)20-COO-(CH2)14-CH3

V-3

1

1

1

Docosanoic acid, tetracosyl ester

H3C-(CH2)20-COO-(CH2)23-CH3

V-3

1

1

1

Docosanoic acid, tetradecyl ester

H3C-(CH2)20-COO-(CH2)13-CH3

V-3

1

0

0

Docosanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester

Name (per CA Collective Index)

V-3

2724.

42233-16-9

1

1

1

Docosanoic acid, tricosyl ester

2725.

42233-08-9

1

1

1

Docosanoic acid, tridecyl ester

H3C-(CH2)20-COO-(CH2)12-CH3

2726.

36332-95-3

0

1

0

Docosanoic acid, 20-methyl-

H3C-CH2 CH(CH3)-(CH2)18-COOH

2727.

121877-76-7

1

1

1

Docosanoic acid, 20-methyl-, docosyl ester

2728.

121877-62-1

1

1

1

Docosanoic acid, 20-methyl-, eicosyl ester

H3C-CH2-CH(CH3)-(CH2)18-COO-(CH2)21-CH3
V-3
H3C-CH2-CH(CH3)-(CH2)18-COO-(CH2)19-CH3
V-3

2729.

121877-71-2

1

1

1

Docosanoic acid, 20-methyl-, heneicosyl ester

H3C-CH2-CH(CH3)-(CH2)18-COO-(CH2)20-CH3
V-3

2730.

59708-74-6

0

1

0

Docosanoic acid, 21-methyl-

(H3C)2=CH-(CH2)19-COOH

IV.A-3

2731.

661-19-8

1

1

1

1-Docosanol

H3C-(CH2)20-CH2OH

II.A-5

2732.

0

1

0

1-Docosanol, 20-methyl-

II.A-5

2733.

0

1

0

1-Docosanol, 21-methyl-

II.A-5

2734.

1599-67-3

H3C-(CH2)20-COO-(CH2)32-CH3

{behenyl alcohol}

V-3
V-3
IV.A-3

1

0

0

1-Docosene

H3C-(CH2)19-CH=CH2

I.B-1

2735.

1

0

0

1-Docosene, 2-methyl-

H2C=C(CH3)-(CH2)19-CH3

I.B-1

2736.

1

0

0

2-Docosene, (Z)-

H3C-CH=CH-(CH2)18-CH3

I.B-1

2737.

1

0

0

2-Docosene, (E)-

2738.

1

0

0

2-Docosene, 2-methyl-

H3C-C(CH3)=CH-(CH2)18-CH3

2739.

1

0

0

2-Docosene, 20-methyl-, (Z)-

H3C-CH=CH-(CH2)16-CH(CH3)-CH2-CH3
I.B-1

2740.

1

0

0

2-Docosene, 20-methyl-, (E)-

I.B-1

2741.

1

0

0

2-Docosene, 21-methyl-, (Z)-

2742.

1

0

0

2-Docosene, 21-methyl-, (E)-

I.B-1
I.B-1

H3C-CH=CH-(CH2)17-CH(CH3)2

I.B-1
I.B-1

2743.

112-86-7

0

1

0

13-Docosenoic acid, (Z)-

2744.

65596-29-4

0

1

0

3,6-Dodecadienedioic acid, 10-hydroxy-4,9dimethyl-

II.A-5, IV.A-3

2745.

40596-69-8

1

1

1

2,4-Dodecadienoic acid, 11-methoxy-3,7,11trimethyl-, 1-methylethyl ester, (E,E){Methoprene®; Altoside®}

IV.A-3, XXI-3

0

1

0

2,4-Dodecadienoic acid, 3-methyl-6-(1-methylethyl)9-oxo-

III-13, IV.A-3

2746.

IV.A-3

110

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2747.

7226-86-0

1

0

0

2,6-Dodecadien-1-ol, 3,7,11-trimethyl-

2748.

117232-64-1

0

1

0

5,10-Dodecadien-2-one, 9-hydroxy-6,11-dimethyl-

2749.

112-40-3

1

1

1

Dodecane

H3C-(CH2)10-CH3

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5
II.A-5, III-13
I.A-10

2750.

1560-97-0

1

0

0

Dodecane, 2-methyl-

H3C-(CH2)9-CH=(CH3)2

I.A-10

2751.

17312-57-1

1

1

1

Dodecane, 3-methyl-

H3C-(CH2)8-CH(CH3)-CH2-CH3

I.A-10

2752.

3891-98-3

1

1

1

Dodecane, 2,6,10-trimethyl-

2753.

693-23-2

1

0

0

Dodecanedioic acid

HOOC-(CH2)10-COOH

IV.A-3

2754.

143-07-7

1

1

1

Dodecanoic acid

2755.

71278-23-4

1

1

1

Dodecanoic acid, 3,7,11,15,19,23,27,31,35nonamethyl-2,6,10,14,18,22,26,30,34hexatriacontanonaenyl ester

V-3

2756.

71278-24-5

1

0

0

Dodecanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester

V-3

2757.

36617-18-2

1

1

1

Dodecanoic acid, eicosyl ester

2758.

106-33-2

0

1

0

Dodecanoic acid, ethyl ester

2759.

111-82-0

0

1

0

Dodecanoic acid, methyl ester

H3C-(CH2)10-COO-CH3

2760.

7416-57-1

0

1

0

Dodecanoic acid, 10-methyl-

H3C-CH2 CH(CH3)-(CH2)8-COOH

2761.

121877-15-4

1

1

1

Dodecanoic acid, 10-methyl-, eicosyl ester

H3C-CH2-CH(CH3)-(CH2)8-COO-(CH2)19-CH3
V-3

2762.

121877-10-9

1

1

1

Dodecanoic acid, 11-methyl-, eicosyl ester

(H3C)2=CH-(CH2)9-COO-(CH2)19-CH3

2763.

112-53-8

1

1

1

1-Dodecanol

H3C-(CH2)10-CH2OH

2764.

6750-34-1

0

1

0

1-Dodecanol, 3,7,11-trimethyl- {hexahydrofarnesol}

2765.

6175-49-1

0

1

0

2-Dodecanone

2766.

502-61-4

1

0

0

1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E){α-farnesene}

I.B-1

1

0

0

2,6,9,11-Dodecatetraen-1-ol, 2,6,10-trimethyl-,
(2E,6E,9E){α-sinensol}

II.A-5

2767.
2768.

(farnesane)

{lauric acid}

{ethyl laurate}

{lauryl alcohol}

I.A-10

H3C-(CH2)10-COOH

IV.A-3, XXI-3

H3C-(CH2)10-COO-(CH2)19-CH3

V-3

H3C-(CH2)10-COO-C2H5

V-3
V-3
IV.A-3

V-3

II.A-5, XXI-3
II.A-5

H3C-(CH2)9-CO-CH3

III-13

1

0

0

2,6,10,?-Dodecatetraenol

{dehydrofarnesol}

II.A-5

2769.

18794-84-8

1

0

0

1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-,
(E){β-farnesene}

I.B-1

2770.

3899-18-1

1

0

0

2,6,10-Dodecatriene, 2,6,10-trimethyl-, (E,E)-

I.B-1

1

0

0

2,6,10-Dodecatriene, 3,7,11-trimethyl-

2772.

7548-13-2

0

1

0

2,6,10-Dodecatrienoic acid, 3,7,11-trimethyl-

IV.A-3

2773.

7212-44-4

1

1

1

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl{nerolidol}

II.A-5

2774.

142-50-7

0

1

0

1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-

II.A-5

2775.

4602-84-0
3790-71-4

1

1

1

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl{sinensol; farnesol}

II.A-5, XXI-3

1

0

0

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl{farnesol isomer}

II.A-5

1

1

1

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate
{farnesyl acetate}

V-3

0

1

0

2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, formate
{farnesyl formate}

V-3

1

0

0

Dodecene

2771.

2776.
2777.

29548-30-9

2778.
2779.

25378-22-7

I.B-1

I.B-1

111

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

112-41-4

1

0

0

1-Dodecene

H2C=CH-(CH2)9-CH3

I.B-1

2781.

1

0

0

1-Dodecene, 2-methyl-

H2C=C(CH3)-(CH2)9-CH3

I.B-1

2782.

1

0

0

2-Dodecene, 2-methyl-

H3C-C(CH3)=CH-(CH2)8-CH3

I.B-1

2783.

1

0

0

2-Dodecene, 10-methyl-, (Z)-

H3C-CH=CH-(CH2)6-CH(CH3)-CH2-CH3 I.B-1

2784.

1

0

0

2-Dodecene, 10-methyl-, (E)-

2785.

1

0

0

2-Dodecene, 11-methyl-, (Z)-

2786.

1

0

0

2-Dodecene, 11-methyl-, (E)-

2780.

2787.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.B-1
H3C-CH=CH-(CH2)7-CH(CH3)2

I.B-1
I.B-1

1

0

0

Dodecenoic acid

IV.A-3

2788.

4412-16-2

0

1

0

2-Dodecenoic acid

IV.A-3

2789.

544-85-4

1

1

1

Dotriacontane

2790.

1720-11-2

1

1

1

Dotriacontane, 2-methyl-

H3C-(CH2)29-CH=(CH3)2

I.A-10

2791.

20129-49-1

1

1

1

Dotriacontane, 3-methyl-

H3C-(CH2)28-CH(CH3)-CH2-CH3

I.A-10

2792.

16753-27-8

1

1

1

Dotriacontane-16,17-14C2, labeled with 14C

2793.

3625-52-3

1

0

0

Dotriacontanoic acid

H3C-(CH2)30-COOH

IV.A-3

2794.

121878-06-6

1

1

1

Dotriacontanoic acid, eicosyl ester

H3C-(CH2)30-COO-(CH2)19-CH3

2795.

66309-89-5

1

0

0

2,6,10,14,18,22,26,30-Dotriacontaoctaene,
2,6,10,14,18,22,26,30-octamethyl-, (all-E)-

I.B-1

2796.

85792-05-8

1

0

0

Dotriacontene

I.B-1

2797.

18435-55-7

1

0

0

1-Dotriacontene

H2C=CH-(CH2)29-CH3

I.B-1

1

0

0

2-Dotriacontene, (Z)-

H3C-CH=CH-(CH2)28-CH3

I.B-1

Dy

XX-5

2798.
2799.
2800.

7429-91-6

1

0

0

2-Dotriacontene, (E)-

1

1

1

Dysprosium

H3C-(CH2)30-CH3

I.A-10

I.A-10

V-3

I.B-1

2801.

9007-57-2

0

1

0

Edestin

XXII-2

2802.

25448-01-5

0

1

0

Eicosadienoic acid

IV.A-3

2803.

2400-66-0

0

1

0

Eicosanal

H3C-(CH2)18-CH=O

2804.

112-95-8

H3C-(CH2)18-CH3

III-12

1

1

1

Eicosane

2805.

0

1

0

Eicosane, methyl-

I.A-10

2806.

1

0

0

Eicosane, 2-methyl-

H3C-(CH2)17-CH=(CH3)2

I.A-10

2807.

0

1

0

Eicosane, 3-methyl-

H3C-(CH2)16-CH(CH3)-CH2-CH3

I.A-10

I.A-10

2808.

4616-73-3

1

0

0

Eicosanenitrile

2809.

506-30-9

1

1

1

Eicosanoic acid

H3C-(CH2)18-CN

2810.

42232-87-1

1

1

1

Eicosanoic acid, docosyl ester

H3C-(CH2)18-COO-(CH2)21-CH3

V-3

2811.

42232-82-6

1

1

1

Eicosanoic acid, dodecyl ester

H3C-(CH2)18-COO-(CH2)11-CH3

V-3

2812.

22432-80-0

1

1

1

Eicosanoic acid, eicosyl ester

H3C-(CH2)18-COO-(CH2)19-CH3

V-3

{arachidic acid}

XI-2

H3C-(CH2)18-COOH

IV.A-3

2813.

42218-26-8

1

1

1

Eicosanoic acid, heneicosyl ester

H3C-(CH2)18-COO-(CH2)20-CH3

V-3

2814.

121877-87-0

1

1

1

Eicosanoic acid, heptacosyl ester

H3C-(CH2)18-COO-(CH2)26-CH3

V-3

2815.

36610-58-9

1

1

1

Eicosanoic acid, heptadecyl ester

H3C-(CH2)18-COO-(CH2)16-CH3

V-3

2816.

17318-45-5

1

1

1

Eicosanoic acid, hexacosyl ester

H3C-(CH2)18-COO-(CH2)25-CH3

V-3

2817.

22413-05-4

1

1

1

Eicosanoic acid, hexadecyl ester

H3C-(CH2)18-COO-(CH2)15-CH3

V-3

2818.

1120-28-1

1

0

0

Eicosanoic acid, methyl ester

H3C-(CH2)18-COO-CH3

V-3

2819.

36610-60-3

1

1

1

Eicosanoic acid, nonadecyl ester

H3C-(CH2)18-COO-(CH2)18-CH3

V-3

2820.

55309-61-0

1

1

1

Eicosanoic acid, octacosyl ester

H3C-(CH2)18-COO-(CH2)27-CH3

V-3

112

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

Selected structures

Chapter
Table

2821.

22432-79-7

1

1

1

Eicosanoic acid, octadecyl ester

H3C-(CH2)18-COO-(CH2)17-CH3

V-3

2822.

121877-79-0

1

1

2823.

36665-69-7

1

1

1

Eicosanoic acid, pentacosyl ester

H3C-(CH2)18-COO-(CH2)24-CH3

V-3

1

Eicosanoic acid, pentadecyl ester

H3C-(CH2)18-COO-(CH2)14-CH3

V-3

2824.

42232-89-3

1

2825.

22413-04-3

1

1

1

Eicosanoic acid, tetracosyl ester

H3C-(CH2)18-COO-(CH2)23-CH3

V-3

1

1

Eicosanoic acid, tetradecyl ester

H3C-(CH2)18-COO-(CH2)13-CH3

V-3

2826.

71278-14-3

1

0

0

Eicosanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester

2827.
2828.

42232-88-2

1

1

1

Eicosanoic acid, tricosyl ester

H3C-(CH2)18-COO-(CH2)32-CH3

V-3

36610-55-6

1

1

1

Eicosanoic acid, tridecyl ester

H3C-(CH2)18-COO-(CH2)12-CH3

V-3

2829.

36332-93-1

1

1

1

Eicosanoic acid, 18-methyl-

H3C-CH2-CH(CH3)-(CH2)16-COOH IV.A-3

2830.

121877-60-9

1

1

1

Eicosanoic acid, 18-methyl-, docosyl ester

H3C-CH2-CH(CH3)-(CH2)16-COO-(CH2)21-CH3
V-3

2831.

59708-73-5

0

1

0

Eicosanoic acid, 19-methyl-

2832.

629-96-9

1

1

1

1-Eicosanol

2833.

0

1

0

1-Eicosanol, 18-methyl-

II.A-5

2834.

0

1

0

1-Eicosanol, 19-methyl-

II.A-5
II.A-5

Name (per CA Collective Index)

V-3

(H3C)2=CH-(CH2)17-COOH
{arachic alcohol}

IV.A-3

H3C-(CH2)18-CH2OH

II.A-5

2835.

4340-76-5

1

0

0

2-Eicosanol

2836.

7431-92-7

1

0

0

2,6,10,14,18-Eicosapentaene, 2,6,10,14,18pentamethyl-, (all-E)-

2837.

75581-03-2

1

0

0

2,6,10,14,18-Eicosapentaene, 2,6,10,14,18pentamethyl-

I.B-1

1

0

0

2,6,10,14,18-Eicosapentaene, 2,6,10,14,18pentamethyl{isomer}

I.B-1
IV.A-3

2838.
2839.

506-32-1

1

1

1

5,8,11,14-Eicosatetraenoic acid, (all-Z){arachidonic acid}

2840.

55682-88-7

0

1

0

11,14,17-Eicosatrienoic acid, methyl ester

1

0

0

Eicosene

1

1

1

1-Eicosene

2843.

1

0

0

2844.

1

0

0

2845.

1

0

0

2-Eicosene, (E)-

2846.

1

0

0

2847.

1

0

2848.

1

0

2849.

1

2850.

1
26764-41-0

2852.
2853.
2854.

2855.

2841.
2842.

2851.

3452-07-1

H-[CH2-C(CH3)=CH-CH2]5-H

I.B-1

V-3
I.B-1
H2C=CH-(CH2)17-CH3

I.B-1

1-Eicosene, 2-methyl-

H2C=C(CH3)-(CH2)17-CH3

I.B-1

2-Eicosene, (Z)-

H3C-CH=CH-(CH2)16-CH3

I.B-1

2-Eicosene, 2-methyl-

H3C-C(CH3)=CH-(CH2)16-CH3

I.B-1

0

2-Eicosene, 18-methyl-, (Z)-

H3C-CH=CH-(CH2)14-CH(CH3)-CH2-CH3 I.B-1

0

2-Eicosene, 18-methyl-, (E)-

0

0

2-Eicosene, 19-methyl-, (Z)-

0

0

2-Eicosene, 19-methyl-, (E)-

1

1

1

Eicosenoic acid

22104-85-4

0

1

0

2-Eicosen-1-ol

159844-36-7

0

1

0

Enzyme E 2 (Arabidopsis thaliana clone TAY029
gene UbcAt3 ubiquitin-carrier)

38419-69-1

0

1

0

6H-3,10b-Epoxy-1H-naphtho[2,1-b]pyran,
decahydro-3,4a,7,7,10a-pentamethyl-, [3S(3α,4aβ,6aα,10aβ,10bα)]-

7440-52-0

1

1

1

Erbium

I.B-1

I.B-1
H3C-CH=CH-(CH2)15-CH(CH3)2

I.B-1
I.B-1
IV.A-3

H3C-(CH2)16-CH=CH-CH2OH

II.A-5
XXII-2
X-2

XX-5

113

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2856.

474-62-4

1

1

1

Ergost-5-en-3-ol, (3β,24R)-

2857.

26047-31-4

0

1

0

Ergost-7-en-3-ol, (3β)-

II.B-2

2858.

17105-75-8

1

0

0

Ergost-7-en-3-ol, (3β,24ξ)-

II.B-2

2859.

33860-48-9

0

1

0

Ergost-8-en-3-ol, 14-methyl-, (3β,5α)-

II.B-2

2860.

16910-33-1

0

1

0

Ergost-8-en-3-ol, 4,14-dimethyl-, (3β,4α,5α)-

II.B-2

2861.

70116-48-2

0

1

0

Ergost-8-en-3-ol, 4,14-dimethyl-, (3β,4α,5α,24ξ)-

II.B-2

2862.

77327-07-2

1

0

0

Ergosta-3,5,7-triene, (24ξ)-

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.B-2

{campesterol}

I.C-1
R

R = -(CH2)2-CH(CH3)-CH(CH3)2
2863.

19254-69-4

0

1

0

Ergosta-4,6,8(14),22-tetraen-3-one, (22E)-

III-13
CH3

CH3

H3C

1

CH3

H3C
H3C

2

8
3

O

4

7

5
6

2864.

474-67-9

0

1

0

Ergosta-5,22-dien-3-ol, (3β,22E)-

II.B-2

2865.

474-63-5

0

1

0

Ergosta-5,24(28)-dien-3-ol, (3β)-

II.B-2

2866.

52936-69-3

0

1

0

Ergosta-5,25-dien-3-ol, (3β)-

II.B-2

2867.

57-87-4

1

1

1

Ergosta-5,7,22-trien-3-ol, (3β,22E)-

II.B-2

{ergosterol}
CH3

CH3

H3C
CH3

H3C
H3C

HO

2868.

21490-25-5

0

1

0

Ergosta-7,24(28)-dien-3β-ol, 4β-methyl-

II.B-2

2869.

474-68-0

0

1

0

Ergosta-7,24(28)-dien-3-ol, (3β,5α)-

II.B-2

2870.

1176-52-9

0

1

0

Ergosta-7,24(28)-dien-3-ol, 4-methyl-, (3β,4α,5α)-

II.B-2

2871.

74635-33-9

0

1

0

Ergosta-8,14,24(28)-trien-3-ol, 4-methyl-,
(3β,4α,5α)-

II.B-2

2872.

23839-47-6

0

1

0

Ergosta-8,14-dien-3-ol, (3β,5α)-

II.B-2

2873.

33886-74-7

0

1

0

Ergosta-8,24(28)-dien-3-ol, 14-methyl-, (3β,5α)-

II.B-2

2874.

16910-32-0

0

1

0

Ergosta-8,24(28)-dien-3-ol, 4,14-dimethyl-,
(3β,4α,5α)-

II.B-2

2875.

80736-41-0

0

1

0

Ergostan-6-one, 2,3,22,23-tetrahydroxy-,
(2α,3α,5α,22R, 23R,24S)-

III-13, II.B-2

2876.

121468-15-3

0

1

0

Ergostan-6-one, 2,3,22,23-tetrahydroxy-,
(2α,3β,5α,22R,23R,24S)-

III-13, II.B-2

2877.

92751-21-8

0

1

0

Ergostan-6-one, 3,22,23-trihydroxy-,
(3β,5α,22R,23R,24S)-

III-13, II.B-2

2878.

87734-68-7

0

1

0

Ergostan-6-one, 3,22,23-trihydroxy-,
(3α,5α,22R,23R,24S)-

III-13, II.B-2

114

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
2879.

S

T

S
T

0

1

0

Erlose (a trisaccharide)

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5

2880.

9013-79-0

0

1

0

Esterase

XXII-2

2881.

9025-98-3

0

1

0

Esterase, pectin

XXII-2

2882.

75-04-7

1

1

1

Ethanamine

2883.

51-75-2

1

0

0

Ethanamine, 2-chloro-N-(2-chloroethyl)-N-methyl-

(Cl-CH2-CH2)2=N-CH3

2884.

121-44-8

1

1

1

Ethanamine, N,N-diethyl-

(H3C-CH2)3≡N

1

0

0

Ethanamine, N,1-dimethyl-N-nitroso-

2885.

{ethylamine}

{triethylamine}

H3C-CH2-NH2

XII-2
XII-2, XVIII.B-3
XII-2
XV-8

2886.

109-89-7

1

1

1

Ethanamine, N-ethyl-

2887.

55-18-5

1

1

1

Ethanamine, N-ethyl-N-nitroso-

{diethylamine}

2888.

624-78-2

1

1

1

Ethanamine, N-methyl-

2889.

10595-95-6

1

1

1

Ethanamine, N-methyl-N-nitroso-

2890.

97190-07-3

0

1

0

Ethanaminium, 2-[[(2,3dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,Ntrimethyl-, hydroxide, inner salt,
monooctadecadienoate monooctadecatrienoate,
(all-Z)-

XII-2

2891.

97190-09-5

0

1

0

Ethanaminium, 2-[[(2,3dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,Ntrimethyl-, hydroxide, inner salt,
monohexadecanoate monooctadecatrienoate,
(Z,Z,Z)-

XII-2

2892.

97190-10-8

0

1

0

Ethanaminium, 2-[[(2,3dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,Ntrimethyl-, hydroxide, inner salt,
monohexadecanoate monooctadecadienoate,
(Z,Z)-

XII-2

2893.

97190-12-0

0

1

0

Ethanaminium, 2-[[(2,3dihydroxypropoxy)hydroxyphosphinyl]oxy]-N,N,Ntrimethyl-, hydroxide, inner salt,
monooctadecadienoate

XII-2

2894.

62-49-7
123-41-1

0

1

0

Ethanaminium, 2-hydroxy-N,N,N-trimethyl{choline}

2895.

8002-43-5

0

1

0

Ethanaminium, 2-hydroxy-N,N,N-trimethyl-,
phosphatidyl{lecithin}

2896.

74-84-0

1

0

0

Ethane

2897.

0

1

0

Ethane, bis(4-methylphenyl)-

2898.

1

1

1

Ethane, 1-chloro-2-bromotetrafluoro{Freon® 114b1}

ClF2C-CF2Br

XVIII.B-3

ClCH2-CF3

XVIII.B-3

{NDEA}

{NEMA}

(H3C-CH2)2=NH

XII-2

(H3C-CH2)2=N-NO

XV-8

H3C-CH2-NH-CH3

XII-2

H3C-CH2-N(NO)-CH3

XV-8

HO-(CH2)2-N+≡(CH3)3

XII-2
XII-2

H3C-CH3

I.A-10
I.D-1

2899.

75-88-7

1

1

1

Ethane, 1-chloro-2,2,2-trifluoro-

2900.

624-89-5

1

0

0

Ethane, (methylthio)-

{Freon® 133a}

2901.

60-29-7

1

1

1

Ethane, 1,1'-oxybis-

2902.

352-93-2

1

0

0

Ethane, 1,1'-thiobis-

2903.

106-93-4

0

1

0

Ethane, 1,2-dibromo{ethylene dibromide, EDB®, Bromofume®}

2904.

107-06-2

1

0

0

Ethane, 1,2-dichloro-

2905.

306-83-2

1

1

1

Ethane, 2,2-dichloro-1,1,1-trifluoro- {Freon® 123}

Cl2CH-CF3

2906.

104-66-5

0

1

0

Ethane, 1,2-diphenoxy-

C6H5-O-CH2CH2-OC6H5

2907.

75-00-3

1

0

0

Ethane, chloro-

C2H5-Cl

XVIII.A-1
{ethyl ether}

X-2
XVIII.A-1
Br-CH2-CH2-Br

XVIII.B-3, XXI-3
XVIII.B-3
XVIII.B-3
X-2
XVIII.B-3

115

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

540-67-0

1

0

0

Ethane, methoxy-

2909.

79-24-3

1

0

0

Ethane, nitro-

2910.

811-97-2

1

1

1

Ethane, 1,1,1,2-tetrafluoro-

2911.

71-55-6

1

0

0

Ethane, 1,1,1-trichloro-

2912.

72-43-5

0

1

0

Ethane, 1,1,1-trichloro-2,2-bis(4-methoxyphenyl){Methoxychlor®}

2908.

Name (per CA Collective Index)

Chapter
Table

Selected structures
C2H5-O-CH3

{Freon® 134a}

X-2

C2H5-NO2

XVI-1

FCH2-CF3

XVIII.B-3

H3C-C≡Cl3

XVIII.B-3
O

O

CCl3

X-2, XVIII.B-3, XXI-3
2913.

25323-89-1

0

1

0

Ethane, 1,2,2-trichloro-

2914.

151-67-7

1

1

1

Ethane, 1,1,1-trifluoro-2-bromo-2-chloro{Freon® 123b1, Halothane}

ClBrCH-CF3

2915.

107-22-2

1

1

1

Ethanedial

O=CH-CH=O

2916.

460-19-5

1

0

0

Ethanedinitrile

0

1

0

Ethanedioate

1

1

1

Ethanedioic acid

1

1

1

Ethanedioic acid, labeled with 14C
{oxalic acid-14C}

2917.
2918.

144-62-7

2919.

XVIII.B-3, XXI-3

{glyoxal}
{cyanogen}

XVIII.B-3
III-12

NC-CN

XI-2

{oxalate}
{oxalic acid}

XX-6
HOOC-COOH

IV.A-3
XXV-29

2920.

14258-49-2

0

1

0

Ethanedioic acid, ammonium salt

XX-6

2921.

17787-48-3

0

1

0

Ethanedioic acid, calcium salt (1:1), hydrate (2:5)

XX-6

2922.

25454-23-3

0

1

0

Ethanedioic acid, calcium salt

XX-6

2923.

95-92-1

0

1

0

Ethanedioic acid, diethyl ester

2924.

583-52-8

0

1

0

Ethanedioic acid, dipotassium salt

XX-6

V-3

XX-6

2925.

6018-94-6

0

1

0

Ethanedioic acid, nickel salt

2926.

17480-26-1

0

1

0

Ethanedioic acid, tin salt

2927.

542-10-9

1

0

0

1,1-Ethanediol, diacetate

2928.

107-21-1

1

1

1

1,2-Ethanediol

2929.

111-55-7

1

0

0

1,2-Ethanediol, diacetate

2930.

534-82-7

0

1

0

1,2-Ethanediol, 1-(4-hydroxy-3-methoxyphenyl)-

2931.

542-59-6

1

0

0

1,2-Ethanediol, monoacetate
{acetic acid, 2-hydroxyethyl ester}

HO-(CH2) 2-OOC-CH3

2932.

134-81-6

1

0

0

Ethanedione, diphenyl-

2933.

107-35-7

0

1

0

Ethanesulfonic acid, 2-amino-

C6H5-CO-CO-C6H5
H2N-(CH2)2-SO3H

2934.

75-08-1

1

0

0

Ethanethiol

2935.

40460-44-4

0

1

0

1,1,2-Ethanetriol

2936.

23135-22-0

0

1

0

Ethanimidothioic acid, 2-(dimethylamino)-N[[(methylamino)carbonyl]oxy]-2-oxo-, methyl ester
{Oxamyl®}

(H3C)2=N-CO-C(S-CH3)=N-OOC-NH-CH3
V-3, XXI-3

2937.

59669-26-0

0

1

0

Ethanimidothioic acid, N',N'(thiobis((methylimino)carbonyloxy))bis-, dimethyl
ester
{Thiodicarb®}

S=[NH-COO-N=C(CH3)-SCH3]2

XXI-3

2938.

64-17-5

1

1

1

Ethanol

H3C-CH2OH

II.A-5

2939.

108-01-0

1

0

0

Ethanol, 2-(dimethylamino)-

2940.

109-83-1

0

1

0

Ethanol, 2-(methylamino)-

2941.

1116-54-7

1

1

1

Ethanol, 2,2'-(nitrosoimino)bis-

{stannous oxalate}

XX-6
V-3

{ethylene glycol}

HOCH2-CH2OH

II.A-5
V-3

{benzil}
{taurine}
{ethyl mercaptan}

II.A-5
II.A-5, V-3
III-13
XII-2, XVIII.A-1

C2H5-SH

XVIII.A-1
II.A-5

{ethyl alcohol}

{NDELA}

(H3C)2=N-CH2-CH2OH

II.A-5, XII-2

H3C-NH-CH2-CH2OH

II.A-5, XII-2

(HO-CH2CH2)2=N-NO

XV-8

116

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2942.

112-27-6

1

1

1

Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis{triethylene glycol}

2943.

111-21-7

1

1

1

Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, diacetate

2944.

112-60-7

0

1

0

Ethanol, 2,2'-[oxybis(2,1-ethanediyloxy)]bis{tetraethylene glycol}

2945.

30934-97-5

1

0

0

Ethanol, 2,2-dimethoxy-

2946.

111-42-2

1

1

1

Ethanol, 2,2'-iminobis-

2947.

111-46-6

1

1

1

Ethanol, 2,2'-oxybis-

2948.

141-43-5

0

1

0

Ethanol, 2-amino-

2949.

1071-23-4

0

1

0

Ethanol, 2-amino-, dihydrogen phosphate (ester)

2950.

78-51-3

1

0

0

Ethanol, 2-butoxy-, phosphate (3:1)

2951.

110-80-5

1

1

1

Ethanol, 2-ethoxy-

HO-CH2CH2-O-CH2CH3

II.A-5, X-2

2952.

109-86-4

1

1

1

Ethanol, 2-methoxy-

HO-CH2CH2-O-CH3

II.A-5, X-2

C6H5O-CH2CH2-OH

II.A-5, X-2

Name (per CA Collective Index)

HO-(CH2) 2-O-(CH2) 2-O-(CH2) 2-OH II.A-5
V-3
II.A-5
II.A-5, X-2

{diethanolamine}

(HO-CH2CH2)2=NH

II.A-5, XII-2

{diethylene glycol}

(HO-CH2CH2)2=O

II.A-5

{ethanolamine}

HO-CH2CH2-NH2

II.A-5, XII-2

2953.

122-99-6

0

1

0

Ethanol, 2-phenoxy-

2954.

1321-27-3

1

1

1

Ethanol, phenyl-: Previously listed as
60-12-8 Benzeneethanol

2955.

115-32-2

0

1

0

Ethanol, 2,2,2-trichloro-1,1-bis(4-chlorophenyl){Dicofol®}

XII-2
[H3C-(CH2)3-O-(CH2)2]3≡P=O

V-3

II.A-5
Cl

Cl

Cl3C

2956.

Chapter
Table

Selected structures

XVIII.B-3, XXI-3

OH

1

0

0

Ethanone, 1-(alkyl-1H-pyrrolyl)-

III-13, XVII.A-4

2957.

78210-69-2

1

0

0

Ethanone, 1-(1,2-dihydro-2-methyl-3-pyridinyl)-

III-13, XVII.B-2

2958.

117210-49-8

0

1

0

Ethanone, 1-(1,4,4a,5,6,7,8,8a-octahydro-4a,8,8trimethyl-2-naphthalenyl)-, (4aR-trans)-

III-13

2959.

932-66-1

1

0

0

Ethanone, 1-(1-cyclohexen-1-yl)-

III-13

1

0

0

Ethanone, 1-(dimethylphenyl){dimethylacetophenone}

III-13

1

0

0

Ethanone, 1-(methylphenyl){methylacetophenone}

III-13

1

0

0

Ethanone, 1-(methyl-1H-pyrrolyl)-

III-13, XVII.A-4

2960.
2961.

26444-19-9

2962.
2963.

20583-33-9

0

1

0

Ethanone, 1-(1H-pyrazol-3-yl)-

III-13, XVII.A-4

2964.

25016-16-4

0

1

0

Ethanone, 1-(1H-pyrazol-4-yl)-

III-13, XVII.A-4

2965.

1072-83-9

1

1

1

Ethanone, 1-(1H-pyrrol-2-yl){2-acetylpyrrole; methyl 2-pyrrolyl ketone}

III-13, XVII.A-4

2966.

1072-82-8

1

1

1

Ethanone, 1-(1H-pyrrol-3-yl){3-acetylpyrrole; methyl 3-pyrrolyl ketone}

III-13, XVII.A-4

2967.

711-79-5

1

1

1

Ethanone, 1-(1-hydroxy-2-naphthalenyl)-

III-13

2968.

20970-50-7

1

0

0

Ethanone, 1-(1-methyl-1H-imidazol-5-yl)-

III-13, XVII.A-4

2969.

37687-18-6

1

0

0

Ethanone, 1-(1-methyl-1H-pyrazol-4-yl)-

III-13, XVII.A-4

2970.

932-16-1

1

1

1

Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)-

III-13, XVII.A-4

2971.

932-62-7

1

1

1

Ethanone, 1-(1-methyl-1H-pyrrol-3-yl)-

III-13, XVII.A-4

2972.

70987-81-4

1

1

1

Ethanone, 1-(1,2,3-trimethyl-2-cyclopenten-2-yl)-

III-13

117

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

2973.

CAS No.

S

T

S
T

779-90-8

0

1

0

Name (per CA Collective Index)
Ethanone, 1,1’,1”-(1,3,5-benzenetriyl)tris{1,3,5-triacetylbenzene}

1

0

0

Ethanone, 1-(2-alkylphenyl)-

III-13

CO-CH3

H3C-CO

2974.

Chapter
Table

Selected structures

CO-CH3

III-13

2975.

55041-85-5

1

1

1

Ethanone, 1-(2,3-dihydro-1H-pyrrolizin-5-yl)-

III-13, XVII.A-4

2976.

19005-95-9

1

0

0

Ethanone, 1-(2,4,5-trimethyl-1H-pyrrol-3-yl)-

III-13, XVII.A-4

2977.

85213-22-5

0

1

0

Ethanone, 1-(2,5-dihydro-1H-pyrrol-2-yl){2-acetylpyrroline}

III-13, XVII.A-4

1

0

0

Ethanone, 1-(2,5-dihydro-5-methyl-1H-pyrrol-3-yl)-

490-78-8

1

0

0

Ethanone, 1-(2,5-dihydroxyphenyl)-

2978.
2979.

III-13, XVII.A-4
III-13, IX.A-22

OH
3
2

CO-CH3

4
5

HO

2980.

1500-94-3

1

0

0

Ethanone, 1-(2,5-dimethyl-1H-pyrrol-3-yl)-

2981.

1197-92-8

0

1

0

Ethanone, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-

2982.

699-83-2

1

0

0

Ethanone, 1-(2,6-dihydroxyphenyl)-

2983.

1192-62-7

1

1

1

Ethanone, 1-(2-furanyl)-

III-13, XVII.A-4
III-13
III-13, IX.A-22

{2-acetylfuran}

III-13, X-2
O

2984.

19859-79-1

1

0

0

Ethanone, 1-(2-furanyl)-2-(acetyloxy)-

2985.

17678-19-2

1

0

0

Ethanone, 1-(2-furanyl)-2-hydroxy-

III-13, X-2
III-13, X-2
O

2986.

703-98-0

1

0

0

Ethanone, 1-(2-hydroxy-3-methoxyphenyl)-

2987.

6921-64-8

0

1

0

Ethanone, 1-(2-hydroxy-4-methylphenyl)-

2988.

1450-72-2

1

0

0

Ethanone, 1-(2-hydroxy-5-methylphenyl)-

2989.

703-23-1

1

0

0

Ethanone, 1-(2-hydroxy-6-methoxyphenyl)-

0

1

0

Ethanone, 1-(2-hydroxy-6-methylphenyl)-

2990.

CO-CH 3

CO-CH2OH

III-13, IX.A-22, X-2
III-13, IX.A-22
III-13, IX.A-22
III-13, IX.A-22, X-2
III-13, IX.A-22

2991.

118-93-4

1

1

1

Ethanone, 1-(2-hydroxyphenyl)-

2992.

78210-66-9

1

0

0

Ethanone, 1-(2-methyl-1H-imidazol-4-yl)-

2993.

577-16-2

1

1

1

Ethanone, 1-(2-methylphenyl){2-methylacetophenone}

III-13

0

1

0

Ethanone, 1-[2-methyl-5-(1-methylethyl)-phenyl]-

III-13

2994.

III-13, IX.A-22
III-13, XVII.A-4

2995.

1122-62-9

1

1

1

Ethanone, 1-(2-pyridinyl)-

{2-acetylpyridine}

III-13, XVII.B-2

2996.

60026-20-2

1

1

1

Ethanone, 1-(2-pyrrolidinyl)- {2-acetylpyrrolidine}

III-13, XVII.A-4

2997.

24295-03-2

0

1

0

Ethanone, 1-(2-thiazolyl)-

2998.

88-15-3

0

1

0

Ethanone, 1-(2-thienyl)-

2999.

0

1

0

Ethanone, 1-[2,3-dihydro-2-(1-methylethyl)-inden-4yl]-

III-13

3000.

0

1

0

Ethanone, 1-[3,4-dihydro-6-(1-methylethyl)-inden-4yl]-pyran-2-yl]-

III-13

3001.

{2-acetylthiazole}

III-13, XVIII.A-1

{2-acetylthiophene}

III-13, XVIII.A-1

0

1

0

Ethanone, 1-(3,4-dihydro-4-methylpyrazin-2-yl)-

3002.

1197-09-7

1

0

0

Ethanone, 1-(3,4-dihydroxyphenyl)-

III-13, XVII.B-2
III-13, IX.A-22

3003.

1131-62-0

1

0

0

Ethanone, 1-(3,4-dimethoxyphenyl)-

III-13

118

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

3004.

CAS No.

S

T

S
T

4478-63-1

0

1

0

Name (per CA Collective Index)
Ethanone, 1-(3,3-dimethyloxiranyl){mesityl oxide epoxide}

Chapter
Table

Selected structures
H3C

III-13, X-2

O
CO-CH3

H3C

3005.

3637-01-2

1

0

0

Ethanone, 1-(3,4-dimethylphenyl)-

3006.

51863-60-6

0

1

0

Ethanone, 1-(3,5-dihydroxyphenyl)-

3007.

117210-50-1

0

1

0

Ethanone, 1-(3a,4,5,6,7,7a-hexahydro-3a,7,7trimethyl-1H-inden-2-yl)-, (3aR-trans)-

3008.

66611-15-2

1

0

0

Ethanone, 1-(3-benzofuranyl)-

3009.

22699-70-3

1

0

0

Ethanone, 1-(3-ethylphenyl)-

3010.

14313-09-8

1

0

0

Ethanone, 1-(3-furanyl)-

3011.

3420-59-5

0

1

0

Ethanone, 1-(3-hydroxy-2-furanyl)-

1

0

0

Ethanone, 1-(3-hydroxy-2-methoxyphenyl)-

III-13, IX.A-22, X-2
III-13, IX.A-22, X-2

3012.

III-13
III-13, IX.A-22
III-13
III-13, X-2
III-13
III-13, X-2
{isomaltol}

II.A-5, III-13, X-2

3013.

6100-74-9

1

0

0

Ethanone, 1-(3-hydroxy-4-methoxyphenyl)-

3014.

33414-49-2

1

0

0

Ethanone, 1-(3-hydroxy-4-methylphenyl)-

III-13, IX.A-22

3015.

121-71-1

1

0

0

Ethanone, 1-(3-hydroxyphenyl)-

III-13, IX.A-22

3016.

586-37-8

1

0

0

Ethanone, 1-(3-methoxyphenyl)-

III-13, X-2

3017.

72693-15-3

1

0

0

Ethanone, 1-(3-methyl-3H-pyrazol-4-yl)-

III-13, XVII.A-4

3018.

72709-76-3

1

0

0

Ethanone, 1-(3-methyl-3H-pyrazol-4-yl)-

III-13, XVII.A-4

3019.

585-74-0

1

1

1

Ethanone, 1-(3-methylphenyl){3-methylacetophenone}

3020.

23787-80-6

1

1

1

Ethanone, 1-(3-methylpyrazinyl){2-acetyl-3-methylpyrazine}

III-13
N

CO-CH3

N

CH3

III-13, XVII.B-2

3021.

350-03-8

1

1

1

Ethanone, 1-(3-pyridinyl){3-acetylpyridine or methyl 3-pyridyl ketone}

III-13, XVII.B-2

3022.

25343-57-1

0

1

0

Ethanone, 1-[3-(1,4,5,6-tetrahydropyridinyl)]-

III-13, XVII.B-2

3023.

27300-27-2

0

1

0

Ethanone, 1-[3-(3,4,5,6-tetrahydropyridinyl)]-

III-13, XVII.B-2

3024.

59576-31-7

1

0

0

Ethanone, 1-(4,6-dimethyl-2-pyridinyl)-

III-13, XVII.B-2

3025.

37920-25-5

1

0

0

Ethanone, 1-(4-butylphenyl)-

3026.

1676-63-7

1

0

0

Ethanone, 1-(4-ethoxyphenyl)-

3027.

66309-77-1

1

0

0

Ethanone, 1-(4-ethyl-2,3-dimethylphenyl)-

3028.

493-33-4

1

0

0

Ethanone, 1-(4-hydroxy-2-methoxyphenyl)-

III-13, IX.A-22, X-2

3029.

2478-38-8

1

0

0

Ethanone, 1-(4-hydroxy-3,5-dimethoxyphenyl)-

III-13, IX.A-22, X-2

3030.

498-02-2

1

1

1

Ethanone, 1-(4-hydroxy-3-methoxyphenyl){acetovanillone}

III-13, IX.A-22, X-2

3031.

99-93-4

1

1

1

Ethanone, 1-(4-hydroxyphenyl)-

3032.

100-06-1

1

1

1

Ethanone, 1-(4-methoxyphenyl)-

3033.

2524-90-5

1

0

0

Ethanone, 1-(4-methyl-1H-imidazol-2-yl)-

3034.

122-00-9

1

1

1

Ethanone, 1-(4-methylphenyl){4-methylacetophenone}

3035.

59576-26-0

1

0

0

Ethanone, 1-(4-methyl-2-pyridinyl)-

III-13, XVII.B-2

3036.

1122-54-9

1

1

1

Ethanone, 1-(4-pyridinyl)-

{4-acetylpyridine}

III-13, XVII.B-2

3037.

38205-66-2

1

0

0

Ethanone, 1-(4-thiazolyl)-

{4-acetylthiazole}

III-13, XVIII.A-1

III-13
III-13, X-2
III-13

III-13, IX.A-22
{acetanisole}

III-13, X-2
III-13, XVII.A-4
III-13

119

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3038.

6982-72-5

1

1

1

Ethanone, 1-(5-methyl-1H-pyrrol-2-yl){2-acetyl-5-methylpyrrole}

3039.

1193-79-9

1

1

1

Ethanone, 1-(5-methyl-2-furanyl){2-acetyl-5-methylfuran}

3040.

42972-46-3

1

1

1

Ethanone, 1-(5-methyl-3-pyridinyl)-

3041.

22047-27-4

1

1

1

Ethanone, 1-(5-methylpyrazinyl){2-acetyl-5-methylpyrazine}

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13, XVII.A-4
III-13, X-2
III-13, XVII.B-2
N

H3 C

CO-CH3

III-13, XVII.B-2

N

3042.

78210-67-0

1

0

0

Ethanone, 1-(5-propyl-1H-imidazol-4-yl)-

III-13, XVII.A-4

3043.

6940-57-4

1

0

0

Ethanone, 1-(6-methyl-2-pyridinyl)-

III-13, XVII.B-2

3044.

36357-38-7

1

0

0

Ethanone, 1-(6-methyl-3-pyridinyl)-

III-13, XVII.B-2

3045.

22047-26-3

1

1

1

Ethanone, 1-(6-methylpyrazinyl){2-acetyl-6-methylpyrazine}

III-13, XVII.B-2

3046.

61891-76-7

1

0

0

Ethanone, 1-(dihydro-3,4-dimethylpyrrol-2-yl)-

III-13, XVII.A-4

3047.

78249-86-2

1

0

0

Ethanone, 1-(dimethylpyridinyl)-

III-13, XVII.B-2

3048.

25496-14-4

1

0

0

Ethanone, 1-(ethylphenyl)-

3049.

25154-45-4

1

0

0

Ethanone, 1-(furanyl)-

3050.

692-73-0

1

0

0

Ethanone, 1-(hydroxymethylphenyl)-

3051.

70587-92-7

1

0

0

Ethanone, 1-(hydroxyphenyl)-

3052.

71278-10-9

1

0

0

Ethanone, 1-(methyl-2-furanyl)-

3053.

74430-25-4

1

0

0

Ethanone, 1-(methylfuranyl)-

1

0

0

Ethanone, 1-(methylpyridinyl)-

{2 isomers}

III-13, XVII.B-2
III-13

3054.

III-13
III-13, X-2
III-13
III-13, IX.A-22
III-13
III-13

3055.

1333-52-4

1

1

1

Ethanone, 1-(naphthalenyl){methyl naphthyl ketone}

3056.

25252-64-6

1

0

0

Ethanone, 1-(tetrahydro-2-furanyl)-

III-13, X-2

3057.

121198-50-3

1

0

0

Ethanone, 1-(tetrahydrofuranyl)-

III-13, X-2

3058.

13678-73-4

0

1

0

Ethanone, 1-[1-(2-furanylmethyl)-1H-pyrrol-2-yl]-

III-13, X-2

3059.

22583-61-5

1

0

0

Ethanone, 1-[2-(1,1-dimethylethyl)phenyl]-

III-13

3060.

112523-81-6

0

1

0

Ethanone, 1-[2,3,3a,4,6a,7,8,9,9a,9b-decahydro5,9a-dimethyl-7-(1-methylethyl)-1Hcyclopent[a]azulen-3-yl]-, [3R(3α,3aα,6aβ,7β,9aα,9bβ)]-

III-13

3061.

152186-01-1

0

1

0

Ethanone, 1-[2,3,3a,4,6a,7,8,9,9a,9b-decahydro5,9a-dimethyl-7-(1-methylethyl)-1Hcyclopent[a]azulen-3-yl]-,
(3α,3aα,6aβ,7β,9aα,9bβ)-(±)-

III-13

3062.

1767-84-6

0

1

0

Ethanone, 1-(2-methyl-2-cyclopenten-1-yl)-

III-13

3063.

94390-73-5

1

0

0

Ethanone, 1-[2-methyl-5-(1-methylethyl)-2,5cyclohexadien-1-yl]-

III-13

3064.

1202-08-0

0

1

0

Ethanone, 1-[2-methyl-5-(1-methylethyl)phenyl]-

III-13

3065.

51297-35-9

0

1

0

Ethanone, 1-[3-(1-ethyl-2-methylpropyl)oxiranyl]-

III-13

3066.

31577-86-3
43219-68-7

0

1

0

Ethanone, 1-[3-(1-methylethenyl)cyclopentyl]{two isomers}

III-13

3067.

120056-06-6

0

1

0

Ethanone, 1-[3-(decahydro-2-hydroxy-2,5,5,8atetramethyl-1-naphthalenyl) oxiranyl]-, [1S[1α(2S*,3R*),2β,4a

1

0

0

Ethanone, 1-[4-(2,6-dimethylpyridinyl)]-

3068.

III-13, X-2

III-13, XVII.B-2

120

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3069.

55087-82-6

1

0

0

Ethanone, 1-[5-(hydroxymethyl)-2-furanyl]-

3070.

52812-41-6

0

1

0

Ethanone, 1-[5-methyl-2-(1-methylethyl)-6,8dioxabicyclo[3.2.1]oct-7-yl]-

III-13, X-2

3071.

57934-85-7

0

1

0

Ethanone, 1-[5-methyl-2-(1-methylethyl)-6,8dioxabicyclo[3.2.1]oct-7-yl]-, (exo,exo)-(±)-

III-13, X-2

3072.

123695-66-9

1

0

0

Ethanone, 1-[6-hydroxy-6-methyl-3-(1-methylethyl)2-cyclohexen-1-yl]-

3073.

823-76-7

0

1

0

Ethanone, 1-cyclohexyl-

3074.

57276-33-2

1

0

0

Ethanone, 1-cyclopropyl-2-(3-pyridinyl)-

3075.

98-86-2

1

1

1

Ethanone, 1-phenyl-

3076.

2243-35-8

0

1

0

Ethanone, 1-phenyl-2-(acetyloxy)-

3077.

22047-25-2

1

1

1

Ethanone, 1-pyrazinyl-

{acetylpyrazine}

III-13, XVII.B-2

3078.

574-06-1

1

0

0

Ethanone, 1,2-diphenyl-2-(acetyloxy){benzoin acetate}

III-13, V-3

3079.

593-67-9

1

0

0

Ethenamine

3080.

74-85-1

1

1

1

Ethene

3081.

75-01-4

0

1

0

Ethene, chloro-

{vinyl chloride}

H2C=CH-Cl

XVIII.B-3

3082.

79-38-9

1

1

1

Ethene, chlorotrifluoro-

{Freon® 1113}

ClFC=CF2

XVIII.B-3

3083.

79-35-6

1

1

1

Ethene, 1,1-dichloro-2,2-difluoro- {Freon® 1112a}

Cl2C=CF2

XVIII.B-3

0

1

0

Ethene, 1-(4-hydroxyphenyl)-2-(3,5dihydroxyphenyl){resveratrol}

IX.A-22
IX.A-22

3084.

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, III-13

II.A-5, III-13
III-13
III-13, XVII.B-2

{acetophenone}

III-13
III-13

H2C=CH-NH2
{ethylene}

3085.

102-61-4

0

1

0

Ethene, 1-(phenyl)-2-(3,5-dihydroxyphenyl){pinosylvin}

3086.

127-18-4

1

0

0

Ethene, tetrachloro-

3087.

79-01-6

1

0

0

Ethene, trichloro-

3088.

463-51-4

1

0

0

Ethenone

3089.

2154-50-9

1

0

0

Ethoxyl radical

3090.

74-86-2

1

0

0

Ethyne

3091.

7440-53-1

1

1

1

{ketene}

{acetylene}

XII-2

H2C=CH2

I.B-1, XXI-3

Cl2C=CCl2

XVIII.B-3

Cl2C=CHCl

XVIII.B-3

H2C=CO

III-13

OCH2CH3

XXVII-1

HC≡CH

I.B-1

Europium

Eu

XX-5

152

3092.

378750-46-0

1

1

1

Europium, isotope of mass 152

3093.

9040-09-9

0

1

0

Ferredoxins

3094.

29732-48-7

0

1

0

Flavylium, 3-[[O-(6-deoxymannosyl)-Dglucosyl]oxy]-3',4',5,5',7-pentahydroxy-, chloride

3095.

0

1

0

Flavylium, 3-[[O-(6-deoxymannosyl)-Dglucosyl]oxy]-3',4',5,7-tetrahydroxy-, chloride

3096.

1

0

0

Fluoraninene, ethylmethyl-

3097.

2693-46-1

1

0

0

3-Fluoranthenamine

3098.

206-44-0

1

1

1

Fluoranthene

Eu

XX-5
XXII-2
II.A-5, XVIII.B-3
II.A-5, IIIXVIII.B-3
I.E-6
XII-2
1

I.E-6

2

10
3
9
8

4
7
6

3099.

5

1

0

0

Fluoranthene, alkyl-

I.E-6

3100.

41593-24-2

1

0

0

Fluoranthene, dihydro-

I.E-6

3101.

71278-25-6

1

0

0

Fluoranthene, dihydromethyl-

I.E-6

121

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3102.

60826-74-6

1

0

0

Fluoranthene, dimethyl{at least 4 isomers in MSS}

3103.

25889-63-8

1

0

0

Fluoranthene, 8,9-dimethyl-

I.E-6

3104.

55220-72-9

1

0

0

Fluoranthene, ethyl-

I.E-6

3105.

71277-96-8

1

0

0

Fluoranthene, ethylmethyl-

I.E-6

3106.

71277-97-9

1

0

0

Fluoranthene, hexamethyl-

I.E-6

3107.

30997-39-8

1

0

0

Fluoranthene, methyl-

I.E-6

3108.

25889-60-5

1

0

0

Fluoranthene, 1-methyl-

I.E-6

3109.

33543-31-6

1

1

1

Fluoranthene, 2-methyl-

I.E-6

3110.

1706-01-0

1

0

0

Fluoranthene, 3-methyl-

I.E-6

3111.

23339-05-1

1

0

0

Fluoranthene, 7-methyl-

I.E-6

3112.

20485-57-8

1

0

0

Fluoranthene, 8-methyl-

I.E-6

3113.

71277-98-0

1

0

0

Fluoranthene, pentamethyl{at least 2 isomers in MSS}

I.E-6

3114.

55220-69-4

1

0

0

Fluoranthene, propyl-

I.E-6

3115.

71277-99-1

1

0

0

Fluoranthene, tetramethyl-

I.E-6

3116.

41637-87-0

1

0

0

Fluoranthene, trimethyl-

I.E-6

1

0

0

Fluorenamine

XII-2

3118.

64294-96-8

1

0

0

9H-Fluorenamine

XII-2

3119.

6344-63-4

1

0

0

9H-Fluoren-1-amine

XII-2

3120.

153-78-6

1

0

0

9H-Fluoren-2-amine

XII-2

1

0

0

9H-Fluoren-4-amine

XII-2

3117.

3121.

Name (per CA Collective Index)

3122.

525-03-1

1

0

0

9H-Fluoren-9-amine

3123.

86-73-7

1

1

1

9H-Fluorene

I.E-6

XII-2
I.E-6

9
8

1

7

2
6
5

3124.

Chapter
Table

Selected structures

4

3

30582-01-5

1

1

1

9H-Fluorene, dimethyl{at least 5 isomers in MSS}

I.E-6

1

0

0

9H-Fluorene, ?,9-dimethyl-

I.E-6

3126.

17057-98-6

1

0

0

9H-Fluorene, 1,9-dimethyl-

I.E-6

3127.

4612-63-9

1

1

1

9H-Fluorene, 2,3-dimethyl-

I.E-6

3128.

4569-45-3

1

0

0

9H-Fluorene, 9,9-dimethyl-

I.E-6

3129.

71278-00-7

1

0

0

9H-Fluorene, dimethylethyl-

I.E-6

3130.

65319-49-5

1

0

0

9H-Fluorene, ethyl-

I.E-6

3131.

1207-20-1

1

0

0

9H-Fluorene, 2-ethyl-

I.E-6

3132.

2294-82-8

1

0

0

9H-Fluorene, 9-ethyl-

I.E-6

3133.

71278-01-8

1

0

0

9H-Fluorene, ethylmethyl{at least 2 isomers in MSS}

I.E-6

3134.

26914-17-0

1

1

1

9H-Fluorene, methyl-

I.E-6

3135.

1730-37-6

1

0

0

9H-Fluorene, 1-methyl-

I.E-6

3136.

1430-97-3

1

0

0

9H-Fluorene, 2-methyl-

I.E-6

3137.

2523-39-9

1

0

0

9H-Fluorene, 3-methyl-

I.E-6

3138.

1556-99-6

1

0

0

9H-Fluorene, 4-methyl-

I.E-6

3125.

{at least 2 isomers in MSS}

122

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2523-37-7

1

0

0

9H-Fluorene, 9-methyl-

I.E-6

3140.

4425-82-5

1

0

0

9H-Fluorene, 9-methylene-

I.E-6

3141.

63372-50-9

1

0

0

9H-Fluorene, tetramethyl-

I.E-6

3142.

30582-02-6

1

0

0

9H-Fluorene, trimethyl-

3143.

6276-03-5

1

1

1

9H-Fluorene-1-carboxylic acid

3144.

27134-14-1

1

0

0

Fluoren-9-one, ethyl-

3145.

27134-15-2

1

0

0

Fluoren-9-one, ethylmethyl-

3146.

486-25-9

1

1

1

9H-Fluoren-9-one

3139.

Name (per CA Collective Index)

I.E-6
IV.A-3
III-13
III-13
III-13

O
1

8
9

7

2
3

6
5

3147.

Chapter
Table

Selected structures

4

27134-13-0

1

0

0

9H-Fluoren-9-one, dimethyl {5 isomers detected}

III-13

1

0

0

9H-Fluoren-9-one, methyl- {2 isomers detected}

III-13

3149.

5501-37-1

1

0

0

9H-Fluoren-9-one, 1-methyl-

III-13

3150.

2840-51-9

1

1

1

9H-Fluoren-9-one, 2-methyl-

III-13

3151.

1705-89-1

1

0

0

9H-Fluoren-9-one, 3-methyl-

III-13

3152.

4269-05-0

1

0

0

9H-Fluoren-9-one, 4-methyl-

3153.

16984-48-8

1

0

0

Fluoride

F-1

XVIII.B-3, XX-5

3154.

7782-41-4

1

1

1

Fluorine

F2

XVIII.B-3, XX-5

3155.

50-00-0

1

1

1

Formaldehyde

H-CH=O

III-12

3156.

75-12-7

1

0

0

Formamide

H-CO-NH2

XIII-1

3157.

871-71-6

1

0

0

Formamide, N-butyl-

H-CO-NH-(CH2)3-CH3

XIII-1

3158.

68-12-2

1

1

1

Formamide, N,N-dimethyl-

H-CO-N=(CH3)2

XIII-1

3159.

72693-10-8

1

0

0

Formamide, N-(2-furanylmethyl)-

3160.

123-39-7

1

0

0

Formamide, N-methyl-

3161.

10285-87-7

1

0

0

Formamide, N-(3-methylbutyl)-

3162.

2591-79-9

1

0

0

Formamide, N-pentyl-

3163.

103-70-8

1

0

0

Formamide, N-phenyl-

XIII-1

3164.

6343-54-0

1

0

0

Formamide, N-(phenylmethyl)-

XIII-1

3165.

56625-04-8

1

0

0

Formamide, N-(3-pyridinylmethyl)-

1

0

0

Formate

3167.

64-18-6

1

1

1

Formic acid

3168.

105-86-2

0

1

0

Formic acid, 3,7-dimethyl-2,6-octadien-1-yl ester

3169.

109-94-4

1

0

0

Formic acid, ethyl ester

3170.

33467-73-1

0

1

0

Formic acid, 3-hexenyl ester

3171.

629-33-4

0

1

0

Formic acid, hexyl ester

3172.

107-31-3

1

1

1

Formic acid, methyl ester

0

1

0

Formic acid, 3-methylbutyl ester

1

0

0

Formic acid, 1-methylethyl ester

H-COO-CH=(CH3)2

3148.

3166.

3173.

III-13

X-2, XIII-1
H-CO-NH-CH3

XIII-1

H-CO-NH-(CH2)4-CH3

XIII-1

XIII-1

XIII-3, XVII.B-2
XX-6
H-COOH

IV.A-3
V-3

H-COO-CH2-CH3

V-3

H-COO-(CH2)5-CH3

V-3

H-COO-CH3

V-3

V-3

{methyl formate}

V-3

3174.

625-55-8

V-3

3175.

638-49-3

0

1

0

Formic acid, pentyl ester

H-COO-(CH2)4-CH3

V-3

3176.

104-62-1

0

1

0

Formic acid, 2-phenylethyl ester

H-COO-(CH2)2-C6H5

V-3

3177.

104-57-4

0

1

0

Formic acid, phenylmethyl ester {benzyl formate}

H-COO-CH2-C6H5

V-3

123

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
3178.

S

T

S
T

1

0

0

Formyl radical

Name (per CA Collective Index)

Chapter
Table

Selected structures
HC(O)O

3179.

9037-90-5

0

1

0

D-Fructan

3180.

10247-46-8

0

1

0

D-Fructofuranose

3181.

71385-82-5

0

1

0

β-D-Fructofuranose, 1-deoxy-1-[2-(3-pyridinyl)-1pyrrolidinyl]-, (S)-

3182.

79082-92-1

0

1

0

β-D-Fructofuranose, 2,6-bis(dihydrogen phosphate)

3183.

9001-57-4

0

1

0

β-Fructofuranosidase

3184.

79886-47-8

0

1

0

β-D-Fructopyranose, 1-deoxy-1-[2-(3-pyridinyl)-1pyrrolidinyl]-, (S)-

3185.

57-48-7

1

1

1

D-Fructose

XXVII-1
II.A-5, VIII-3
II.A-5, VIII-3
II.A-5, VIII-3, XVII.B-4
II.A-5, VIII-3
XXII-2
VIII-3, XVII.B-4

{levulose}

II.A-5, VIII-3, X-2

OH
CH2OH
OH

O

OH OH

13

13

3186.

51767-72-7

0

1

0

D-Fructose, labeled with C, labeled with C
{D-Fructose-13C}

II.A-5, VIII-3, X-2

3187.

29118-61-4

0

1

0

D-Fructose, 1-(2-carboxy-1-pyrrolidinyl)-1-deoxy-,
(S)-

II.A-5, VIII-3, XVII.A-4

3188.

488-69-7

0

1

0

D-Fructose, 1,6-bis(dihydrogen phosphate)

3189.

70954-04-0

0

1

0

D-Fructose, 1-[(1-carboxy-2-hydroxypropyl)amino]1-deoxy-, [R-(R*,S*)]-

VIII-3

3190.

34393-27-6

0

1

0

D-Fructose, 1-[(3-amino-1-carboxy-3oxopropyl)amino]-1-deoxy-, (S)-

VIII-3

3191.

10003-63-1

0

1

0

D-Fructose, 1-[(3-carboxypropyl)amino]-1-deoxy-

VIII-3

3192.

70906-15-9

0

1

0

D-Fructose, 1-deoxy-1-[2-(3-pyridinyl)-1pyrrolidinyl]-, (S)-

3193.

643-13-0

0

1

0

D-Fructose, 6-(dihydrogen phosphate)

VIII-3

3194.

36119-15-0

0

1

0

D-Fructose, mono(dihydrogen phosphate)

VIII-3

0

1

0

Fructosidase

XXII-2

3196.

9033-47-0

0

1

0

β-Fructosidase

XXII-2

3197.

2438-80-4

0

1

0

Fucose

VIII-3

3198.

110-00-9

1

0

0

Furan

3195.

II.A-5, VIII-3

II.A-5, VIII-3, XVII.B-4

X-2
O

3199.
3200.

64079-00-1

3201.

0

1

0

Furan, C3-alkyl-

0

1

0

Furan, butyl-

{3 isomers detected}

0

1

0

Furan, 2,3-diacetyl-5-methyl-

X-2
X-2
O

H3C
4

2

X-2

CO-CH3

3

CO-CH3

3202.

28802-49-5

1

0

0

Furan, dimethyl-

X-2

3203.

27252-25-1

0

1

0

Furan, ethyl-

X-2

3204.

1

0

0

Furan, ethenyl-methyl-

X-2

3205.

1

0

0

Furan, hexenyl-methyl-

X-2

3206.

27137-41-3

1

0

0

Furan, methyl-

X-2

3207.

64079-01-2

0

1

0

Furan, pentyl-

X-2

124

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3208.

27252-26-2

0

1

0

Furan, propyl-

3209.

109-99-9

1

1

1

Furan, tetrahydro-

0

1

0

Furan, tetrahydro-2-methyl-2-(4-hydroxy-1pentenyl)-

3210.

Name (per CA Collective Index)

X-2
X-2
II.A-5, X-2

OH
O

3211.

Chapter
Table

Selected structures

CH3

0

1

0

Furan, tetrahydro-2-(3-phenylpropyl)-

X-2

3212.

13678-51-8

1

0

0

Furan, 2-(2-furanylmethyl)-5-methyl-

X-2

3213.

10504-11-7

1

0

0

Furan, 2-(2-methyl-1-propenyl)-

X-2

3214.

4868-20-6

1

0

0

Furan, 2-(3-hexenyl)-5-methyl-, (Z)-

X-2

3215.

1197-40-6

1

0

0

Furan, 2,2'-methylenebis-

X-2

3216.

110484-93-0

1

0

0

Furan, 2,2'-methylenebis[5-ethyl-

X-2

3217.

13679-43-1

1

0

0

Furan, 2,2'-methylenebis[5-methyl-

X-2

3218.

121213-25-0

1

0

0

Furan, 2,3-dihydro-2-methoxy-

X-2

3219.

34314-83-5

1

0

0

Furan, 2,3-dihydro-4-methyl-

X-2

3220.

14920-89-9

1

0

0

Furan, 2,3-dimethyl-

X-2

3221.

1708-29-8

1

0

0

Furan, 2,5-dihydro-

X-2

3222.

13314-90-4

1

0

0

Furan, 2,5-dihydro-2,5-bis(methylene)-

X-2

3223.

13436-43-6

1

0

0

Furan, 2,5-dihydro-2-methoxy-

X-2

3224.

1708-30-1

1

0

0

Furan, 2,5-dihydro-2-methyl-

X-2

0

1

0

Furan, 2,5-diethyl-

X-2

3225.
3226.

625-86-5

1

1

1

Furan, 2,5-dimethyl-

X-2

3227.

110484-94-1

1

0

0

Furan, 2-[1-(5-ethyl-2-furanyl)ethyl]-5-methyl-

X-2

3228.

4466-24-4

1

1

1

Furan, 2-butyl-

X-2

3229.

1487-18-9

1

1

1

Furan, 2-ethenyl-

X-2

1

0

0

Furan, 2-ethenyl-5-methyl-

X-2

3231.

13679-86-2

0

1

0

Furan, 2-ethenyltetrahydro-2-methyl-5-(1methylethenyl)-

X-2

3232.

3208-16-0

1

1

1

Furan, 2-ethyl-

X-2

3233.

1703-52-2

1

0

0

Furan, 2-ethyl-5-methyl-

X-2

3234.

534-22-5

1

1

1

Furan, 2-methyl-

X-2

0

1

0

Furan, 2-methyl-5 (1-methylethenyl)-

X-2

3230.

3235.
3236.

96-47-9

1

0

0

Furan, 2-methyltetrahydro-

X-2

3237.

3777-69-3

0

1

0

Furan, 2-pentyl-

X-2

3238.

17113-33-6

1

0

0

Furan, 2-phenyl-

3239.

55484-04-3

1

0

0

Furan, 2-(4-pyridyl)-

3240.

42933-00-6
54869-11-3

1

1

1

Furan, 3-(4,8,12-trimethyltridecyl)-

3241.

930-27-8

1

1

1

Furan, 3-methyl-

3242.

13679-41-9

0

1

0

Furan, 3-phenyl-

3243.

2745-26-8

1

0

0

2-Furanacetic acid

IV.A-3, X-2

3244.

617-90-3

1

0

0

2-Furancarbonitrile

X-2, XI-2

3245.

13714-86-8

1

0

0

2-Furancarbonitrile, 5-methyl-

X-2, XI-2

X-2
X-2, XVII.B-2
{phytofuran}

X-2
X-2
X-2

125

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3246.

39276-09-0

1

0

0

Furancarboxaldehyde

3247.

98-01-1

1

1

1

2-Furancarboxaldehyde {furfural; 2-furaldehyde}

Name (per CA Collective Index)

III-12 X-2
4

III-12 X-2

3

5

CHO

O

3248.

Chapter
Table

Selected structures

1

0

0

2-Furancarboxaldehyde, hydroxy-

II.A-5, III-12, X-2
II.A-5, III-12, X-2

3249.

25376-49-2

0

1

0

2-Furancarboxaldehyde, (hydroxymethyl)-

3250.

26895-04-5

1

0

0

2-Furancarboxaldehyde, methyl-

III-12, X-2

3251.

33342-48-2

1

0

0

2-Furancarboxaldehyde, 3-methyl-

III-12, X-2

3252.

32529-53-6

1

1

1

2-Furancarboxaldehyde, 5-acetyl-

3253.

10551-58-3

0

1

0

2-Furancarboxaldehyde, 5-[(acetyloxy)methyl]-

3254.

67-47-0

1

1

1

2-Furancarboxaldehyde, 5-(hydroxymethyl)-

3255.

21300-07-2

0

1

0

2-Furancarboxaldehyde, 5-methoxy-

0

1

0

2-Furancarboxaldehyde, 5-methoxy-?-methyl-

III-12 X-2

3257.

1917-64-2

0

1

0

2-Furancarboxaldehyde, 5-(methoxymethyl)-

III-12 X-2

3258.

620-02-0

1

1

1

2-Furancarboxaldehyde, 5-methyl-

III-12, X-2

3259.

498-60-2

1

1

1

3-Furancarboxaldehyde

III-12, X-2

3260.

29988-76-9

1

1

1

Furancarboxamide

X-2, XIII-1

3261.

609-38-1

1

1

1

2-Furancarboxamide

X-2, XIII-1

3262.

26447-28-9

1

1

1

Furancarboxylic acid

IV.A-4, X-2

3263.

88-14-2

1

1

1

2-Furancarboxylic acid

3264.

61892-61-3

1

0

0

2-Furancarboxylic acid, 2-(acetyloxy)ethyl ester

V-3, X-2

3265.

614-99-3

0

1

0

2-Furancarboxylic acid, ethyl ester
{ethyl 2-furoate}

V-3, X-2

3266.

71278-16-5

0

1

0

2-Furancarboxylic acid, 3-hydroxy-

II.A-5, IV.A-3, X-2

3267.

6338-41-6

1

0

0

2-Furancarboxylic acid, 5-(hydroxymethyl)-

II.A-5, IV.A-3, X-2

3268.

1917-15-3

1

0

0

2-Furancarboxylic acid, 5-methyl-

3269.

611-13-2

1

1

1

2-Furancarboxylic acid, methyl ester
{methyl 2-furoate}

V-3, X-2

3270.

3885-29-8

1

0

0

2-Furancarboxylic acid, tetrahydro-5-oxo-, methyl
ester

V-3, VI-3, X-2

3271.

488-93-7

1

0

0

3-Furancarboxylic acid

IV.A-4, X-2

3272.

6947-94-0

1

0

0

3-Furancarboxylic acid, 2-methyl-

IV.A-4, X-2

3273.

636-44-2

1

0

0

3-Furancarboxylic acid, 2,5-dimethyl-

IV.A-4, X-2

3256.

III-12, X-2
III-12, V-3, X-2
II.A-5, III-12, X-2
III-12 X-2

{furoic acid}

IV.A-4, X-2

IV.A-4, X-2

3274.

4412-96-8

1

0

0

3-Furancarboxylic acid, 3-methyl-

IV.A-4, X-2

3275.

21984-93-0

1

0

0

3-Furancarboxylic acid, 5-methyl-

IV.A-4, X-2

3276.

13129-23-2

0

1

0

3-Furancarboxylic acid, methyl ester

3277.

5204-91-1

1

0

0

3-Furancarboxylic acid, tetrahydro-5-oxo-, methyl
ester

3278.

823-82-5

1

1

1

2,5-Furandicarboxaldehyde

3279.

61892-94-2

1

0

0

3,4-Furandiol, tetrahydro-3-methyl-

3280.

108-31-6

1

1

1

2,5-Furandione

V-3, X-2
V-3, VI-3, X-2
III-12, X-2
X-2

{maleic anhydride}

3
O

3281.

33765-37-6

0

1

0

2

VII-1

4
1
O

5

o

2,5-Furandione, 3,4-diethyldihydro-, (E)-

VII-1

126

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3282.

108-30-5

1

1

1

2,5-Furandione, dihydro-

3283.

17347-61-4

1

1

1

2,5-Furandione, dihydro-3,3-dimethyl-

VII-1

3284.

7475-92-5

1

1

1

2,5-Furandione, dihydro-3,4-dimethyl{pyrocinchonic anhydride}

VII-1

3285.

4100-80-5

1

0

0

2,5-Furandione, dihydro-3-methyl-

VII-1

3286.

766-39-2

1

1

1

2,5-Furandione, 3,4-dimethyl-

VII-1

3287.

3552-33-8

1

1

1

2,5-Furandione, 3-ethyl-4-methyl-

VII-1

3288.

616-02-4

1

0

0

2,5-Furandione, 3-methyl-

VII-1

3289.

72693-16-4

1

0

0

2,5-Furandione, 3-methyl-4-(phenylmethyl)-

VII-1

3290.

16493-20-2

1

0

0

2,5-Furandione, 3-methyl-4-propyl-

VII-1

3291.

61679-89-8

1

0

0

2,5-Furandione, 3-propyl-

VII-1

Name (per CA Collective Index)

3292.

98-02-2

0

1

0

2-Furanmethanethiol

3293.

40795-25-3

1

0

0

Furanmethanol

3294.

98-00-0

1

1

1

{succinic anhydride}

2-Furanmethanol

VII-1

X-2, XVIII.A-1

{furfuryl alcohol}

II.A-5, X-2
II.A-5, X-2

3

4
5

2

CH2OH

1

O

3295.

623-17-6

3296.

Chapter
Table

Selected structures

1

1

1

2-Furanmethanol, acetate

1

0

0

2-Furanmethanol, 2,3-dihydro-5-methoxy-

II.A-5, X-2

V-3, X-2

3297.

60047-17-8

0

1

0

2-Furanmethanol, 5-ethenyltetrahydro-α,α,5trimethyl-

II.A-5, X-2

3298.

5989-33-3

0

1

0

2-Furanmethanol, 5-ethenyltetrahydro-α,α,5trimethyl-, (Z){cis-linalool oxide}

II.A-5, X-2

3299.

23007-29-6

0

1

0

2-Furanmethanol, 5-ethenyltetrahydro-α,α,5trimethyl-, (E){trans-linalool oxide}

II.A-5, X-2

3300.

13493-97-5

0

1

0

2-Furanmethanol, formate

V-3, X-2

3301.

55664-77-2

0

1

0

2-Furanmethanol, methyl-

II.A-5, X-2

3302.

3857-25-8

1

1

1

2-Furanmethanol, 5-methyl-

II.A-5, X-2

3303.

54774-28-6

0

1

0

2-Furanmethanol, 5-methyltetrahydro-

3304.

61481-02-5

1

0

0

2-Furanmethanol, 5-(1-pyrrolidinylmethyl)-

3305.

97-99-4

1

1

1

2-Furanmethanol, tetrahydro-

II.A-5, X-2

3306.

4412-91-3

1

0

0

3-Furanmethanol

II.A-5, X-2

3307.

29848-46-2

1

0

0

3-Furanol, tetrahydro-5,5-dimethyl-

3308.

66607-70-3

0

1

0

3-Furanol, tetrahydro-5-[6-hydroxy-3-(1methylethyl)-1-heptenyl]-5-methyl-

II.A-5, X-2
II.A-5, X-2, XVII.A-4

II.A-5, X-2
II.A-5, X-2

OH
OH

CH3
O

CH3

H3C

3309.

20825-71-2

1

1

1

2(3H)-Furanone

{butenolide}
5

CH3

VI-3

1
O
O

4
3

3310.

1

0

0

2(3H)-Furanone, acetyl-

III-13, VI-3

3311.

517-23-7

1

0

0

2(3H)-Furanone, 3-acetyldihydro-

III-13, VI-3

3312.

7400-67-1

1

0

0

2(3H)-Furanone, 4-acetyldihydro-

III-13, VI-3

3313.

29393-32-6

1

1

1

2(3H)-Furanone, 5-acetyldihydro-

III-13, VI-3

127

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3314.

19405-99-3

1

0

0

2(3H)-Furanone, 3-(acetyloxy)dihydro-

V-3, VI-3

3315.

19405-98-2

1

0

0

2(3H)-Furanone, 4-(acetyloxy)dihydro-

V-3, VI-3

3316.

26817-24-3

1

0

0

2(3H)-Furanone, 5-(acetyloxy)dihydro-

V-3, VI-3

3317.

61892-43-1

1

0

0

2(3H)-Furanone, 3-(acetyloxy)dihydro-4-hydroxy-

II.A-5, V-3, VI-3

3318.

61892-44-2

1

0

0

2(3H)-Furanone, 5-(acetyloxy)dihydro-4-hydroxy-

II.A-5, V-3, VI-3

3319.

160115-54-8

0

1

0

2(3H)-Furanone, 3-(acetyloxy)dihydro-5-methyl-5[3-(1-methylethyl)-6-oxo-1-heptenyl]-, [3R[3α,5β(1E,3S*)]]-

III-13, V-3, VI-3

3320.

160224-93-1

0

1

0

2(3H)-Furanone, 3-(acetyloxy)dihydro-5-methyl-5[3-(1-methylethyl)-6-oxo-1-heptenyl]-, [3R[3α,5α(1E,3S*)]]-

III-13, V-3, VI-3

3321.

1192-20-7

1

0

0

2(3H)-Furanone, 3-aminodihydro-

0

1

0

2(3H)-Furanone, 3-(3-butenyl)-dihydro-

0

1

0

2(3H)-Furanone, 5-butyldihydro-

0

1

0

2(3H)-Furanone, 5-butyldihydro-4-methyl-

3322.
3323.

104-50-7

3324.

Name (per CA Collective Index)

Chapter
Table

Selected structures

VI-3, XII-2
VI-3
VI-3

{γ-octalactone}

VI-3

3325.

96-48-0

1

1

1

2(3H)-Furanone, dihydro-

3326.

13092-55-2

1

0

0

2(3H)-Furanone, dihydro-3,4-dihydroxy-

II.A-5, VI-3

3327.

17675-99-9

1

0

0

2(3H)-Furanone, dihydro-3,4-dihydroxy-, (Z)-

II.A-5, VI-3

1

0

0

2(3H)-Furanone, dihydro-3,4-dihydroxy-5(hydroxymethyl)-

II.A-5, VI-3

3328.

{butyrolactone}

VI-3

3329.

61892-57-7

1

0

0

2(3H)-Furanone, dihydro-3,4-dihydroxy-5(hydroxymethyl)-4-methyl-

II.A-5, VI-3

3330.

18465-71-9

1

0

0

2(3H)-Furanone, dihydro-3,4-dihydroxy-3-methyl-,
(3R-Z)-

II.A-5, VI-3

1

0

0

2(3H)-Furanone, dihydro-3,4-dihydroxy-4-methyl-

II.A-5, VI-3

3331.
3332.

72693-07-3

1

0

0

2(3H)-Furanone, dihydro-3,4-dimethyl-

VI-3

3333.

5145-01-7

1

1

1

2(3H)-Furanone, dihydro-3,5-dimethyl-

VI-3

3334.

13861-97-7

0

1

0

2(3H)-Furanone, dihydro-4,4-dimethyl-

VI-3

3335.

6971-63-7

1

1

1

2(3H)-Furanone, dihydro-4,5-dimethyl-

VI-3

3336.

3123-97-5

0

1

0

2(3H)-Furanone, dihydro-5,5-dimethyl-

VI-3

3337.

38273-97-1

0

1

0

2(3H)-Furanone, dihydro-3,3-dimethyl-5-(2oxopropyl)-

VI-3

0

1

0

2(3H)-Furanone, dihydro-5-(1,4-dimethyl-1pentenyl)-

VI-3
VI-3

3338.
3339.

1073-11-6

0

1

0

2(3H)-Furanone, dihydro-5-ethenyl-5-methyl-

3340.

16496-51-8

0

1

0

2(3H)-Furanone, dihydro-4-ethyl-

VI-3

3341.

695-06-7

1

1

1

2(3H)-Furanone, dihydro-5-ethyl- {γ-hexalactone}

VI-3

3342.

2610-98-2

0

1

0

2(3H)-Furanone, dihydro-5-ethyl-3-methyl-

VI-3

3343.

2865-82-9

0

1

0

2(3H)-Furanone, dihydro-5-ethyl-5-methyl-

VI-3

3344.

158815-74-8

0

1

0

2(3H)-Furanone, dihydro-5-(3-ethyl-4-methyl-1pentenyl)-3-hydroxy-5-methyl-

VI-3

3345.

61892-46-4

1

0

0

2(3H)-Furanone, dihydro-4-ethynyl-5-hydroxy-3methyl-

VI-3

0

1

0

2(3H)-Furanone, dihydro-5-(5-heptenyl)-

VI-3

3346.

128

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3347.

104-67-6

0

1

0

2(3H)-Furanone, dihydro-5-heptyl{γ-undecalactone}

VI-3

3348.

706-14-9

0

1

0

2(3H)-Furanone, dihydro-5-hexyl-

VI-3

Name (per CA Collective Index)

Chapter
Table

Selected structures

{γ-decalactone}
3349.
3350.

1

0

0

2(3H)-Furanone, dihydro(hydroxy)-

II.A-5, VI-3

1

0

0

2(3H)-Furanone, dihydro(hydroxymethyl)-

II.A-5, VI-3

18132-98-4

1

0

0

2(3H)-Furanone, dihydro-3-(hydroxymethyl)-

II.A-5, VI-3

3352.

1608-63-5

0

1

0

2(3H)-Furanone, dihydro-3-(1-methylethyl)-

3353.

60016-73-1

1

1

1

2(3H)-Furanone, dihydro-(2-oxopropyl)-

3354.

25600-22-0

1

0

0

2(3H)-Furanone, dihydro-3-(1-oxopropoxy)-

3351.

VI-3
III-13, VI-3
V-3, VI-3

OOC-CH2CH3
3

4
5

2
1

O

O

3355.

71385-84-7

1

1

1

2(3H)-Furanone, dihydro-3-(2-oxopropyl)-

3356.

65331-00-2

1

0

0

2(3H)-Furanone, dihydro-4-(2-oxopropyl)-

III-13, VI-3

3357.

61892-49-7

1

0

0

2(3H)-Furanone, dihydro-5-(1-oxopropyl)-

III-13, VI-3

3358.

53155-68-3

0

1

0

2(3H)-Furanone, dihydro-3,4,5-trimethyl-,
(3α,4α,5α)-

VI-3

3359.

19444-84-9

1

0

0

2(3H)-Furanone, dihydro-3-hydroxy-

II.A-5, VI-3

3360.

19444-86-1

1

0

0

2(3H)-Furanone, dihydro-3-hydroxy-3(hydroxymethyl)-

II.A-5, VI-3

3361.

1192-42-3

1

0

0

2(3H)-Furanone, dihydro-3-hydroxy-3-methyl-

II.A-5, VI-3

3362.

6969-43-3

0

1

0

2(3H)-Furanone, dihydro-3-hydroxy-4,4,5-trimethyl-

II.A-5, VI-3

3363.

52126-90-6

1

1

1

2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-

II.A-5, VI-3

3364.

599-04-2

1

1

1

2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-,
(R)-

II.A-5, VI-3

1

0

0

2(3H)-Furanone, dihydro-3-hydroxy-5-(1hydroxyethyl)-

II.A-5, VI-3

3365.

III-13, VI-3

3366.

61892-52-2

1

0

0

2(3H)-Furanone, dihydro-3-hydroxy-5-(2hydroxyethyl)-

II.A-5, VI-3

3367.

61892-50-0

1

0

0

2(3H)-Furanone, dihydro-3-hydroxy-5-(2hydroxyethyl)-5-methyl-

II.A-5, VI-3

3368.

53561-62-9

1

0

0

2(3H)-Furanone, dihydro-3-hydroxy-5-methyl{2 isomers}

II.A-5, VI-3

3369.

158815-71-5

0

1

0

2(3H)-Furanone, dihydro-3-hydroxy-5-methyl-5-[3(1-methylethyl)-6-oxo-1-heptenyl]-, [3R[3α,5β(1E,3S*)]]-

3370.

5469-16-9

1

1

1

2(3H)-Furanone, dihydro-4-hydroxy-

II.A-5, VI-3

3371.

3285-47-0

1

0

0

2(3H)-Furanone, dihydro-4-hydroxy-3,3-dimethyl-

II.A-5, VI-3

3372.

61892-45-3

1

0

0

2(3H)-Furanone, dihydro-4-hydroxy-3(hydroxymethyl)-

II.A-5, VI-3

3373.

36679-81-9

1

1

1

2(3H)-Furanone, dihydro-4-(hydroxymethyl)-

II.A-5, VI-3

3374.

34945-05-6

1

0

0

2(3H)-Furanone, dihydro-4-hydroxy-4-methyl-

II.A-5, VI-3

0

1

0

2(3H)-Furanone, dihydro-4-(2,5,6-trimethyl-5,6epoxyoctanyl)-

3375.

II.A-5, III-13, VI-3

VI-3, X-2

3376.

50768-69-9

1

0

0

2(3H)-Furanone, dihydro-5-hydroxy-

II.A-5, VI-3

3377.

27610-27-1

1

1

1

2(3H)-Furanone, dihydro-5-(1-hydroxyethyl)-

II.A-5, VI-3

129

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3378.

61892-47-5

1

0

0

2(3H)-Furanone, dihydro-5-hydroxy-4-methyl-

II.A-5, VI-3

3379.

10374-51-3

1

1

1

2(3H)-Furanone, dihydro-5-(hydroxymethyl)-

II.A-5, VI-3

3380.

1679-47-6

0

1

0

2(3H)-Furanone, dihydro-3-methyl-

VI-3

3381.

1679-49-8

1

1

1

2(3H)-Furanone, dihydro-4-methyl-

VI-3

3382.

108-29-2

1

1

1

2(3H)-Furanone, dihydro-5-methyl{γ-valerolactone}

VI-3

3383.

0

1

0

2(3H)-Furanone, dihydro-5-methyl-5-(3-oxobutyl)-

III-13, VI-3

3384.

0

1

0

2(3H)-Furanone, dihydro-5-methyl-5-(3-methyl-1butenyl)-

VI-3

Name (per CA Collective Index)

Chapter
Table

Selected structures

3385.

80797-69-9

0

1

0

2(3H)-Furanone, dihydro-5-(3-methyl-1-butenyl)-

VI-3

3386.

2429-94-9

0

1

0

2(3H)-Furanone, dihydro-5-(3-methylbutyl)-

VI-3

3387.

10547-88-3

0

1

0

2(3H)-Furanone, dihydro-4-(1-methylethyl)-

VI-3

3388.

38624-29-2

0

1

0

2(3H)-Furanone, dihydro-5-(1-methylethyl)-

VI-3

0

1

0

2(3H)-Furanone, dihydro-5-(1-methylethyl)-5-(3methyl-1,2-butadienyl)-

VI-3

3389.
3390.

129742-48-9

0

1

0

2(3H)-Furanone, dihydro-5-(1-methylethyl)-5-(3oxo-1-butenyl)-, (E)-(+)-

III-13, VI-3

3391.

2305-05-7

0

1

0

2(3H)-Furanone, dihydro-5-octyl{γ-dodecalactone}

VI-3

3392.

76710-90-2

0

1

0

2(3H)-Furanone, dihydro-5-(2-pentenyl)-, (Z)-

VI-3

3393.

104-61-0

0

1

0

2(3H)-Furanone, dihydro-5-pentyl{γ-nonalactone}

VI-3

3394.

105-21-5

1

1

1

2(3H)-Furanone, dihydro-5-propyl{γ-heptalactone}

VI-3

3395.

20971-79-3

1

0

0

2(3H)-Furanone, dihydro-5-(3-pyridinyl)-

3396.

61892-55-5

1

0

0

2(3H)-Furanone, dihydro-5-(hydroxymethyl)-4methyl-

II.A-5, VI-3

3397.

72507-34-7

0

1

0

2(3H)-Furanone, dihydro-5-[1-methyl-4-(1methylethyl)-7-oxo-2-octenyl]-

III-13, VI-3

3398.

102734-52-1

0

1

0

2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7(1-methylethyl)-10-oxo-1,5-undecadienyl]-5methyl-, [5S-[5R*(1E,4R*,5E,7R*)]]-

VI-3, XVII.B-2

II.A-5, III-13, VI-3
H3C

CH3
OH

O
CH3
CH3
CH3
O
O

3399.

102734-53-2

0

1

0

2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7(1-methylethyl)-10-oxo-1,5-undecadienyl]-5methyl-, [5S-[5R*(1E,4S*,5E,7R*)]]-

II.A-5, III-13, VI-3

3400.

102734-54-3

0

1

0

2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7(1-methylethyl)-10-oxo-1,5-undecadienyl]-5methyl-, [5R-[5R*(1E,4S*,5E,7S*)]]-

II.A-5, III-13, VI-3

3401.

102734-55-4

0

1

0

2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7(1-methylethyl)-10-oxo-1,5-undecadienyl]-5methyl-, [5R-[5R*(1E,4R*,5E,7S*)]]-

II.A-5, III-13, VI-3

3402.

80744-25-8

0

1

0

2(3H)-Furanone, dihydro-5-[4-hydroxy-4-methyl-7(1-methylethyl)-10-oxo-1,5-undecadienyl]-5methyl-

II.A-5, III-13, VI-3

130

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
3403.

S

T

S
T

0

1

0

2(3H)-Furanone, dihydro-5-methyl-5-(5-methyl-2furanyl)-

Name (per CA Collective Index)

3404.

60646-31-3

1

0

0

2(3H)-Furanone, dihydro-5-methyl-5-(1methylethyl)-, (S)-

3405.

57213-51-1

0

1

0

2(3H)-Furanone, dihydro-5-methyl-5-[3-(1methylethyl)-6-oxo-1-heptenyl]-

Chapter
Table

Selected structures

VI-3, X-2
VI-3
III-13, VI-3
O

CH3
O

H3C

H3C

O

CH3

3406.

3284-93-3

0

1

0

2(3H)-Furanone, dihydro-5-methyl-5-propyl-

VI-3

3407.

10008-73-8

1

0

0

2(3H)-Furanone, dihydro-5-methylene-

VI-3

0

1

0

2(3H)-Furanone, dihydro-5-(1,1,3-trimethyl-2butenyl)-

VI-3

0

1

0

2(3H)-Furanone, dihydrodimethyl-

VI-3

0

1

0

2(3H)-Furanone, 3,3-dimethyl-

VI-3

3408.
3409.

64291-81-2

3410.
3411.

1

1

1

2(3H)-Furanone, 3,4-dimethyl-

3412.

61892-58-8

1

0

0

2(3H)-Furanone, 3-(hydroxymethyl)-5-methyl-

VI-3

3413.

591-12-8

1

1

1

2(3H)-Furanone, 5-methyl-

II.A-5, VI-3
VI-3

{4-hydroxy-3-pentenoic acid lactone; α-angelica
lactone}
3414.

497-23-4

1

1

1

2(5H)-Furanone

{crotonolactone}
5

VI-3

1
O
O

4
3

3415.

1

0

0

2(5H)-Furanone, acetyl-

III-13, VI-3

3416.

80436-91-5

1

0

0

2(5H)-Furanone, 3-acetyl-

III-13, VI-3

3417.

38260-27-4

1

0

0

2(5H)-Furanone, 4-acetyl-

III-13, VI-3

3418.

61892-53-3

1

0

0

2(5H)-Furanone, 5-acetyl-

III-13, VI-3

3419.

61892-42-0

1

0

0

2(5H)-Furanone, 3-acetyl-4-methyl-

III-13, VI-3

1

0

0

2(5H)-Furanone, 5-butylidene-

VI-3

14668-67-8

1

0

0

2(5H)-Furanone, 3,5-diethyl-

VI-3

1

0

0

2(5H)-Furanone, 3,4-dihydroxy-

VI-3

1575-46-8

1

0

0

2(5H)-Furanone, 3,4-dimethyl-

VI-3

3424.

5584-69-0

1

1

1

2(5H)-Furanone, 3,5-dimethyl-

VI-3

3425.

10547-85-0

1

1

1

2(5H)-Furanone, 4,5-dimethyl-

VI-3

3426.

20019-64-1

0

1

0

2(5H)-Furanone, 5,5-dimethyl-

VI-3

0

1

0

2(5H)-Furanone, 5,5-dimethyl-4-ethyl-

VI-3

0

1

0

2(5H)-Furanone, 3,4-dimethyl-5-hydroxy-5-pentyl-

3420.
3421.
3422.
3423.

3427.
3428.

6067-11-4

II.A-5, VI-3
O

O

OH

3429.

14300-74-4

1

0

0

2(5H)-Furanone, 3,4-dimethyl-5-methylene-

VI-3

3430.

10547-84-9

1

1

1

2(5H)-Furanone, 3,4-dimethyl-5-pentyl{dihydrobovolide}

VI-3
O

O

131

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

3431.

CAS No.

S

T

S
T

774-64-1

1

1

1

Name (per CA Collective Index)

Chapter
Table

Selected structures

2(5H)-Furanone, 3,4-dimethyl-5-pentylidene{bovolide}

VI-3
O

O

3432.

7935-59-1

0

1

0

2(5H)-Furanone, 3,4-dimethyl-5-pentylidene-,
dihydro derivative

3433.

66309-74-8

1

0

0

2(5H)-Furanone, 3,4-dimethyl-5-(1-propenyl)-

VI-3

3434.

66309-75-9

1

0

0

2(5H)-Furanone, 5-ethenyl-

VI-3

3435.

0

1

0

2(5H)-Furanone, 5-ethenyl-3-methyl-

VI-3

3436.

0

1

0

2(5H)-Furanone, 4-ethyl-

VI-3

2407-43-4

1

1

1

2(5H)-Furanone, 5-ethyl-

VI-3

0

1

0

2(5H)-Furanone, 4-ethyl-5,5-dimethyl-

VI-3

3439.

698-10-2

0

1

0

2(5H)-Furanone, 5-ethyl-3-hydroxy-4-methyl-

VI-3

3440.

14668-66-7

1

0

0

2(5H)-Furanone, 3-ethyl-5-methyl-

VI-3

3441.

54467-53-7

0

1

0

2(5H)-Furanone, 4-ethyl-5-methyl-

VI-3

3442.

26329-68-0

1

0

0

2(5H)-Furanone, 5-ethyl-3-methyl-

VI-3

3443.

52945-87-6

1

0

0

2(5H)-Furanone, 5-ethyl-4-methyl-

VI-3

3444.

6066-62-2

1

0

0

2(5H)-Furanone, 5-ethylidene-3,4-dimethyl-

VI-3

3445.

71126-48-2

1

0

0

2(5H)-Furanone, 5-ethylidene-3-methyl-, (Z)-

VI-3

3446.

28664-35-9

0

1

0

2(5H)-Furanone, 3-hydroxy-4,5-dimethyl-

VI-3

1

0

0

2(5H)-Furanone, 3-hydroxy-5-(1-hydroxyethyl)-

54621-96-4

1

0

0

2(5H)-Furanone, 5-(1-hydroxyethyl)-, [R-(R*,S*)]-

1

0

0

2(5H)-Furanone, 3-(hydroxymethyl)-

VI-3

3450.

80904-75-2

1

0

0

2(5H)-Furanone, 4-(hydroxymethyl)-

II.A-5, VI-3

3451.

22122-36-7

1

1

1

2(5H)-Furanone, 3-methyl-

VI-3

3452.

6124-79-4

1

1

1

2(5H)-Furanone, 4-methyl-

VI-3

3453.

591-11-7

1

1

1

2(5H)-Furanone, 5-methyl-

{β-angelica lactone}

VI-3

3454.

108-28-1

1

1

1

2(5H)-Furanone, 5-methylene- {protoanemonin}

VI-3

3455.

7754-93-0

0

1

0

2(5H)-Furanone, 3-(1-methylethyl)-

VI-3

3456.

10547-89-4

1

1

1

2(5H)-Furanone, 4-(1-methylethyl)-

VI-3

3457.

61892-54-4

1

1

1

2(5H)-Furanone, 3-methyl-5-methylene-

VI-3

3458.

0

1

0

2(5H)-Furanone, 5-methyl-5-(1-methylethyl)-

3459.

0

1

0

2(5H)-Furanone, 4-methyl-5-(3-oxobutyl)

III-13, VI-3

3460.

0

1

0

2(5H)-Furanone, 5-methyl-4-(3-oxo-4-methylpentyl)-

III-13, VI-3

3461.

0

1

0

2(5H)-Furanone, 4-(4-methyl-1-pentyl)-

3437.
3438.

3447.
3448.
3449.

VI-3

IVI-3
II.A-5, VI-3

VI-3

VI-3

3462.

77267-30-2

0

1

0

2(5H)-Furanone, 5-(2-pentenyl)-, (Z)-

VI-3

3463.

1963-26-8
21963-26-8

0

1

0

2(5H)-Furanone, 5-pentyl-

VI-3

3464.

33488-51-6

1

1

1

2(5H)-Furanone, 3,4,5-trimethyl-

VI-3

3465.

50598-50-0

0

1

0

2(5H)-Furanone, 3,5,5-trimethyl-

VI-3

3466.

4182-41-6

0

1

0

2(5H)-Furanone, 4,5,5-trimethyl-

3467.

3511-31-7

1

0

0

3(2H)-Furanone

III-13, X-2

3468.

22929-52-8

1

0

0

3(2H)-Furanone, dihydro-

III-13, X-2

VI-3

132

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
3469.
3470.
3471.

3188-00-9

S

T

S
T

1

0

0

3(2H)-Furanone, dihydro-2,5-dimethyl-, (E)-

III-13, X-2

1

0

0

3(2H)-Furanone, dihydro-2,5-dimethyl-, (Z)-

III-13, X-2

1

1

1

3(2H)-Furanone, dihydro-2-methyl{2-methyltetrahydrofuran-3-one}

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13, X-2
O

O
CH3

3472.

89364-27-2

1

0

0

3(2H)-Furanone, dihydro-4-methyl-

0

1

0

3(2H)-Furanone, dihydro-5-methyl-5-propyl-

III-13, X-2

3474.

14400-67-0

1

0

0

3(2H)-Furanone, 2,5-dimethyl-

III-13, X-2

3475.

27538-09-6

0

1

0

3(2H)-Furanone, 3-ethyl-4-hydroxy-5-methyl-

3476.

17678-20-5

1

0

0

3(2H)-Furanone, 4-hydroxy-2-(hydroxymethyl)-5methyl-

II.A-5, III-13, X-2

3477.

3658-77-3

1

1

1

3(2H)-Furanone, 4-hydroxy-2,5-dimethyl{furaneol}

II.A-5, III-13, X-2

3478.

484-20-8

0

1

0

7H-Furo[3,2-g][1]benzopyran-7-one, 4-methoxy-

0

1

0

Furo[3,2-b]furan, tetrahydro-2-acetyl-3a-methyl-5(1-methylethyl)-

3473.

3479.

III-13, X-2

III-13, X-2

X-2
III-13, X-2
H3C
CO-CH3
O

H3C

O
CH3

3480.

0

1

0

Furo[3,2-b]furan-2(3H)-methanol, tetrahydro-α,α,3atrimethyl-5-(1-methylethyl)-

II.A-5, III-13, X-2
H3C

CH3
OH
O

H3C

O

CH3

CH3

3481.

60026-27-9

0

1

0

Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-

VI-3, X-2
O
O

O
CH3

3482.

0

1

0

Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5(1-methylethenyl)-

VI-3, X-2

H2C
O
O

H3C

O
CH3

3483.

0

1

0

Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5(1-methylethenyl)-

VI-3, X-2

H2C
O
H3C

O

O
CH3

3484.

0

1

0

Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5(1-methylethyl)-

VI-3, X-2

H3C
O
O

H3C

O
CH3

3485.

0

1

0

Furo[3,2-b]furan-2(3H)-one, tetrahydro-3a-methyl-5(1-methylethyl)-

VI-3, X-2

H3 C
O
O

H3C

O
CH3

3486.

61893-05-8

1

0

0

1H-Furo[2,3-d]imidazole, 2-methyl-

X-2, XVII.A-4

H
N
CH3
O

N

133

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3487.

72686-97-6

0

1

0

2H-Furo[3,2-c]isobenzofuran-8-methanol,
octahydro-2-methoxy-α,α,3a,5a-tetramethyl-,
(2α,3aα,5aβ,8β,9aS*)-

II.A-5, X-2

3488.

72747-21-8

0

1

0

2H-Furo[3,2-c]isobenzofuran-8-methanol,
octahydro-2-methoxy-α,α,3a,5a-tetramethyl-, [2R(2α,3aβ,5aα,8α,9aR*)]-

II.A-5, X-2

3489.

37209-50-0

0

1

0

3aH-Furo[3,2-c]isobenzofuran-8-methanol,
5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-,
acetate, [3aR-(3aα,5aβ,8β,9aR*)]-

II.A-5, X-2

3490.

56857-64-8

0

1

0

3aH-Furo[3,2-c]isobenzofuran-8-methanol,
5,5a,6,7,8,9-hexahydro-α,α,3a,5a-tetramethyl-,
[3aR-(3aα,5aβ,8β,9aR*)]-

II.A-5, X-2

3491.

7440-54-2

1

1

1

Gadolinium

3492.

9037-55-2

1

1

1

D-Galactan

3493.

526-99-8

0

1

0

Galactaric acid

HOOC-(CHOH)4-COOH

3494.

0

1

0

Galactitol, 2,3-di-O-methyl-

HOH2C-[CH(OCH3]2-(CHOH)2-CH2OH
II.A-5

3495.

0

1

0

Galactitol, 2,4-di-O-methyl-

II.A-5

3496.

0

1

0

Galactitol, 2,6-di-O-methyl-

HOH2C-CH(OCH3)-(CHOH)3-CH2OCH3
II.A-5

3497.

0

1

0

Galactitol, 2-O-methyl-

II.A-5, X-2

3498.

0

1

0

Galactitol, 3-O-methyl-

II.A-5, X-2

3499.

0

1

0

Galactitol, 2,3,4,6-tetra-O-methyl-

II.A-5, X-2

3500.

0

1

0

Galactitol, 2,3,4-tri-O-methyl-

II.A-5, X-2

3501.

0

1

0

Galactitol, 2,3,6-tri-O-methyl-

II.A-5, X-2

3502.

Name (per CA Collective Index)

Chapter
Table

Selected structures

Gd

XX-5
VIII-3
IV.A-3

0

1

0

Galactitol, 2,4,6-tri-O-methyl-

II.A-5, X-2

3503.

9036-66-2

1

1

1

D-Galacto-L-arabinan

II.A-5, X-2

3504.

33818-21-2

1

0

0

α-D-Galactofuranose, 1,6-anhydro-

II.A-5, X-2

3505.

9040-29-3

0

1

0

D-Galacto-D-gluco-D-mannan

II.A-5, X-2

3506.

644-76-8

1

0

0

β-D-Galactopyranose, 1,6-anhydro-

II.A-5, X-2

3507.

26656-33-7

0

1

0

D-Galactopyranuronic acid, homopolymer

3508.

1948-54-5

0

1

0

Galactose, 2-amino-2-deoxy-

3509.

35381-83-0

0

1

0

Galactose, diether with 1,2,3-propanetriol (1:2)

II.A-5, X-2

3510.

59-23-4

1

1

1

D-Galactose

II.A-5, X-2

3511.

7535-00-4

0

1

0

D-Galactose, 2-amino-2-deoxy-

II.A-5, X-2
II.A-5, X-2, XII-2

II.A-5, X-2, XII-2
{galactosamine}

3512.

1949-89-9

0

1

0

D-Galactose, 2-deoxy-

3513.

9001-34-7

0

1

0

Galactosidase

II.A-5, X-2

3514.

97234-09-8

0

1

0

D-Galactoside, [(1-oxohexadecatrienyl)oxy][(1oxooctadecatrienyl)oxy]propyl, (all-Z)-

II.A-5, X-2

3515.

97234-10-1

0

1

0

D-Galactoside, [(1-oxohexadecyl)oxy][(1oxooctadecatrienyl)oxy]propyl, (Z,Z,Z)-

II.A-5, X-2

3516.

97276-55-6

0

1

0

D-Galactoside, [(1-oxooctadecadienyl)oxy][(1oxooctadecatrienyl)oxy]propyl, (all-Z)-

II.A-5, X-2

XXII-2

134

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3517.

97232-94-5

0

1

0

D-Galactoside, 2,3-bis[(1oxooctadecadienyl)oxy]propyl O-D-galactosyl-,
(all-Z)-

II.A-5, X-2

3518.

97170-15-5

0

1

0

D-Galactoside, 2,3-bis[(1oxooctadecadienyl)oxy]propyl, (all-Z)-

II.A-5, X-2

3519.

97233-43-7

0

1

0

D-Galactoside, 2,3-bis[(1oxooctadecatrienyl)oxy]propyl O-D-galactosyl-,
(all-Z)-

II.A-5, X-2

3520.

97170-14-4

0

1

0

D-Galactoside, 2,3-bis[(1oxooctadecatrienyl)oxy]propyl, (all-Z)-

II.A-5, X-2

3521.

97275-71-3

0

1

0

D-Galactoside, 2,3-dihydroxypropyl, 2'(or 3')hexadecanoate 3' (or 2')-octadecadienoate, (Z,Z)-

II.A-5, X-2

3522.

14982-50-4

0

1

0

Galacturonic acid

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, IV.A-3, X-2

COOH
HO

O
OH
OH
OH

3523.

25990-10-7

0

1

0

Galacturonic acid, homopolymer

II.A-5, IV.A-3, X-2

3524.

685-73-4

1

1

1

D-Galacturonic acid

II.A-5, IV.A-3, X-2

3525.

34150-36-2

0

1

0

D-Galacturonic acid, anhydro-

II.A-5, IV.A-3, X-2

3526.

25249-06-3

0

1

0

D-Galacturonic acid, homopolymer

II.A-5, IV.A-3, X-2

3527.

7440-55-3

1

1

1

Gallium

XX-5

3528.

152347-17-6

0

1

0

GenBank D16204

XXII-2

3529.

152347-18-7

0

1

0

GenBank D16205

XXII-2

3530.

152347-16-5

0

1

0

GenBank D16206

XXII-2

3531.

143787-54-6

0

1

0

GenBank L02124

XXII-2

3532.

150472-46-1

0

1

0

GenBank L13439

XXII-2

3533.

150472-47-2

0

1

0

GenBank L13440

XXII-2

3534.

150472-48-3

0

1

0

GenBank L13441

XXII-2

3535.

150472-49-4

0

1

0

GenBank L13442

XXII-2

3536.

150472-50-7

0

1

0

GenBank L13443

XXII-2

3537.

149241-78-1

0

1

0

GenBank L14953

XXII-2

0

1

0

GenBank M73791

XXII-2

3538.
3539.

144680-39-7

0

1

0

GenBank M74102

XXII-2

3540.

144680-37-5

0

1

0

GenBank M74103

XXII-2

3541.

142693-30-9

0

1

0

GenBank M84650

XXII-2

3542.

145767-36-8

0

1

0

GenBank M87838

XXII-2

3543.

145767-40-4

0

1

0

GenBank M87839

XXII-2

3544.

141683-31-0

0

1

0

GenBank M94135

XXII-2

0

1

0

GenBank X58527

XXII-2

3545.
3546.

139854-77-6

0

1

0

GenBank X60057

XXII-2

3547.

140352-16-5

0

1

0

GenBank X61113

XXII-2

3548.

140352-17-6

0

1

0

GenBank X61114

XXII-2

3549.

139857-64-0

0

1

0

GenBank X61750

XXII-2

0

1

0

GenBank X61826

XXII-2

3550.

135

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3551.

140360-05-0

0

1

0

GenBank X62339

XXII-2

3552.

141005-27-8

0

1

0

GenBank X62368

XXII-2

3553.

140104-46-7

0

1

0

GenBank X62395

XXII-2

0

1

0

GenBank X62500

XXII-2

3555.

142965-21-7

0

1

0

GenBank X63078

XXII-2

3556.

145905-43-7

0

1

0

GenBank X63607

XXII-2

3557.

139867-08-6

0

1

0

GenBank X64398

XXII-2

3558.

139869-01-5

0

1

0

GenBank X64399

XXII-2

3559.

140830-68-8

0

1

0

GenBank X64423

XXII-2

0

1

0

GenBank X64621

XXII-2

3554.

3560.

Name (per CA Collective Index)

Chapter
Table

Selected structures

3561.

141164-37-6

0

1

0

GenBank X65117

XXII-2

3562.

141164-36-5

0

1

0

GenBank X65118

XXII-2

3563.

147904-32-3

0

1

0

GenBank X65982

XXII-2

3564.

144031-18-5

0

1

0

GenBank X66145

XXII-2

3565.

143341-50-8

0

1

0

GenBank X67158

XXII-2

3566.

151468-68-7

0

1

0

GenBank X69971

XXII-2

3567.

148757-17-9

0

1

0

GenBank X71015

XXII-2

0

1

0

GenBank Z11803

XXII-2

3568.
3569.

142914-46-3

0

1

0

GenBank Z12619

XXII-2

3570.

142914-45-2

0

1

0

GenBank Z12623

XXII-2

3571.

152651-60-0

0

1

0

GenBank Z14079

XXII-2

3572.

152651-59-7

0

1

0

GenBank Z14080

XXII-2

3573.

152651-58-6

0

1

0

GenBank Z14081

XXII-2

3574.

152651-57-5

0

1

0

GenBank Z14082

XXII-2

3575.

152651-61-1

0

1

0

GenBank Z14085

XXII-2

3576.

148544-79-0

0

1

0

GenBank Z16403

XXII-2

3577.

148544-80-3

0

1

0

GenBank Z16404

XXII-2

3578.

554-91-6

0

1

0

Gentiobiose

3579.

7440-56-4

1

1

1

Germanium

II.A-5, X-2

3580.

19147-78-5

0

1

0

Gibbane-1,10-dicarboxylic acid, 2,3-epoxy-4a,7dihydroxy-1-methyl-8-methylene-, 1,4a-lactone,
(1α,2β,3β,4aα,4bβ,10β)-

II.A-5, VI-3

3581.

545-97-1

0

1

0

Gibbane-1,10-dicarboxylic acid, 2,4a,7-trihydroxy-1methyl-8-methylene-, 1,4a-lactone,
(1α,2β,4aα,4bβ,10β)-

II.A-5, VI-3

3582.

468-44-0

0

1

0

Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1methyl-8-methylene-,1,4a-lactone,
(1α,2β,4aα,4bβ,10β)-.

Ge

XX-5

II.A-5, VI-3
COOH
H2C

O
O
CH3

OH

3583.

561-56-8

0

1

0

Gibb-2-ene-1,10-dicarboxylic acid, 4a,7-dihydroxy1-methyl-8-methylene-, 1,4a-lactone,
(1α,4aα,4bβ,10β)-

II.A-5, VI-3

136

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

3584.

CAS No.

S

T

S
T

77-06-5

0

1

0

Name (per CA Collective Index)
Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7trihydroxy-1-methyl-8-methylene-, 1,4a-lactone,
(1α,2β,4aα,4bβ,10β){gibberellic acid}

Chapter
Table

Selected structures

II.A-5, VI-3
O
HO

OH

O

COOH

3585.

125-67-7

0

1

0

Gibb-3-ene-1,10-dicarboxylic acid, 2,4a,7trihydroxy-1-methyl-8-methylene-, 1,4a-lactone,
potassium salt
{gibberellic acid, potassium salt}

II.A-5, VI-3, XXI-3
O
HO

OH

O

COOH

3586.

510-75-8

0

1

0

Gibb-3-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy1-methyl-8-methylene-, 1,4a-lactone,
(1α,2β,4aα,4bβ,10β)-

II.A-5, VI-3

3587.

9007-83-4

0

1

0

Globulins, γ-

3588.

9037-91-6

0

1

0

Glucan

II.A-5, VIII-3

3589.

9051-97-2

0

1

0

β-D-Glucan, (1→3)-

II.A-5, VIII-3

3590.

9044-93-3

0

1

0

β-1,3-Glucanase

XXII-2

3591.

128512-83-4

0

1

0

Glucanase, endo-1,3-β-(tobacco clone pGL31
isoenzyme)

XXII-2

3592.

128512-84-5

0

1

0

Glucanase, endo-1,3-β- (tobacco clone pGL36
isoenzyme)

XXII-2

3593.

128512-85-6

0

1

0

Glucanase, endo-1,3-β- (tobacco clone pGL43
isoenzyme)

XXII-2

3594.

128512-86-7

0

1

0

Glucanase, endo-1,3-β- (tobacco isoenzyme)

XXII-2

3595.

62213-14-3

0

1

0

Glucanase, endo-1,3(4)-β-

XXII-2

3596.

128475-00-3

0

1

0

Glucanase, preproendo-1,3-β- (tobacco clone
pBSGlu39.1 isoenzyme signal peptide)

XXII-2

3597.

128475-01-4

0

1

0

Glucanase, preproendo-1,3-β- (tobacco clone
pBSGlu39.1 isoenzyme signal peptide) 26-Lthreonine-28-L-glutamic acid

XXII-2

3598.

128512-87-8

0

1

0

Glucanase, preproendo-1,3-β- (tobacco clone
pBSGlu39.1 isoenzyme protein moiety)

XXII-2

3599.

128512-88-9

0

1

0

Glucanase, preproendo-1,3-β- (tobacco clone
pBSGluc39.3 isoenzyme protein moiety)

XXII-2

3600.

128512-89-0

0

1

0

Glucanase, preproendo-1,3-β- (tobacco clone
pGL31 isoenzyme protein moiety)

XXII-2

3601.

128512-90-3

0

1

0

Glucanase, preproendo-1,3-β- (tobacco clone
pGL36 isoenzyme protein moiety)

XXII-2

3602.

128512-91-4

0

1

0

Glucanase, preproendo-1,3-β- (tobacco clone
pGL43 isoenzyme protein moiety)

XXII-2

3603.

128512-92-5

0

1

0

Glucanase, preproendo-1,3-β- (tobacco isoenzyme
protein moiety)

XXII-2

3604.

7425-74-3

1

1

1

β-D-Glucofuranose, 1,6-anhydro-

3605.

66537-22-2

1

1

1

Glucometasaccharinic acid, γ-lactone

XXII-2

II.A-5, X-2
II.A-5, VI-3, X-2

137

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

3606.

CAS No.

S

T

S
T

492-62-6

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

α-D-Glucopyranose

II.A-5, X-2

OH
OH
O
HO

HOCH2
OH

3607.

492-61-5

3608.
3609.

28977-67-5

0

1

0

β-D-Glucopyranose

II.A-5, X-2

0

1

0

α-D-Glucopyranose, 1-acetate 2,3,4,6-tetrakis((+)-3methylbutanoate)

V-3

1

1

1

β-D-Glucopyranose, 6-acetate 2,3,4-tris((+)-3methylvalerate)

V-3

β-D-Glucopyranose, 6-acetate 2,3,4-tris((+)-3methylpentanoate)
3610.

25545-13-5

0

1

0

D-Glucopyranose, 4-(4-hydroxybenzoate)

V-3

3611.

23445-11-6

0

1

0

β-D-Glucopyranose, 1-(2,5-dihydroxybenzoate)

V-3

3612.

41682-52-4

0

1

0

β-D-Glucopyranose, 1-(3-phenyl-2-propenoate)

V-3

3613.

59-56-3

0

1

0

α-D-Glucopyranose, 1-(dihydrogen phosphate)

3614.

498-07-7

1

1

1

β-D-Glucopyranose, 1,6-anhydro- {levoglucosan}

V-3
HO

II.A-5, X-2

OH
O

HO
O

3615.

61891-55-2

1

0

0

β-D-Glucopyranose, 1,6-anhydro-, monoacetate

3616.

10139-18-1

0

1

0

α-D-Glucopyranose, 1,6-bis(dihydrogen phosphate)

V-3

3617.

21056-52-0

0

1

0

β-D-Glucopyranose, 1-benzoate

V-3

3618.

33-99-3

0

1

0

β-D-Glucopyranose, 4-O-α-D-glucopyranosyl-

II.A-5, X-2

3619.

4482-75-1

0

1

0

α-D-Glucopyranose, 4-O-α-D-glucopyranosyl-

II.A-5, X-2

0

1

0

α-D-Glucopyranose, 1,2,3,4,5-penta((+)-3methylbutanoate)

V-3

0

1

0

β-D-Glucopyranose, 6-(3-phenyl-2-propenoate)

V-3

3622.

0

1

0

α-D-Glucopyranose, 1,3,4,6-tetrakis((+)-3methylbutanoate)

V-3

3623.

0

1

0

α-D-Glucopyranose, 2,3,4,5-tetrakis((+)-3methylbutanoate)

V-3

3624.

0

1

0

β-D-Glucopyranose, 2,3,4,5-tetrakis((+)-3methylbutanoate)

V-3

3620.
3621.

64461-84-3

V-3

3625.

7724-09-6

0

1

0

β-D-Glucopyranoside, (2-hydroxyphenyl)methyl-

3626.

7073-61-2

1

1

1

β-D-Glucopyranoside, (3β)-cholest-5-en-3-yl{cholesteryl glucoside}

II.A-5, X-2

3627.

1

1

1

β-D-Glucopyranoside, (3β)-ergost-5-en-3-yl{campesteryl glucoside}

II.A-5, X-2

3628.

0

1

0

β-D-Glucopyranoside, 3-hexen-1-yl{3-hexen-1-yl glucoside; leaf acid glucoside}

II.A-5, X-2

1

1

1

β-D-Glucopyranoside, (3β)-stigmast-5-en-3-yl{β-sitosteryl glucoside}

3629.

474-58-8

II.A-5, IX.A-22, X-2

II.A-5, X-2
CH3

H3C

C2H5

CH-CH2CH2-CH-CH=(CH3)2

H3C

O
HOCH2

O
OH

HO

OH

138

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

3630.

CAS No.

S

T

S
T

19716-26-8

1

1

1

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, X-2

β-D-Glucopyranoside, (3β,22E)-stigmasta-5,22dien-3-yl{stigmasteryl glucoside}

CH3

C2H5

CH-CH=CH-CH-CH=(CH3)2

H3C
H3 C

O
HOCH2

O
OH
OH

HO

3631.

51064-38-1

1

1

1

II.A-5, X-2

β-D-Glucopyranoside, (3β,24S)-stigmast-5-en-3-yl{γ-sitosteryl glucoside}

CH3

H3C

CH-CH2CH2-CH-CH=(CH 3)2
C2H5

H3C

O
HOCH2

O
OH
OH

HO

3632.

57-50-1

1

1

1

α-D-Glucopyranoside, β-D-fructofuranosyl{sucrose}

II.A-5, X-2
HOH2C
O

HOH2C

HO

O

CH2OH

O
OH
HO

OH

HO

3633.

126-14-7

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-,
octaacetate

V-3

3634.

470-55-3

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-O-α-Dgalactopyranosyl-(1→6)-O-α-D-galactopyranosyl(1→6)-

II.A-5, X-2

3635.

512-69-6

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-O-α-Dgalactopyranosyl-(1→6){raffinose}

II.A-5, X-2

3636.

13101-54-7

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-O-α-Dglucopyranosyl-(1→4)-

II.A-5, X-2

3637.

25954-44-3

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-O-β-Dglucopyranosyl-(1→6)-

II.A-5, X-2

3638.

98913-58-7

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-, 3methylpentanoate

II.A-5, V-3, X-2

3639.

154063-13-5

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-, 6acetate 2,3,4-tris(2-methylbutanoate)

II.A-5, V-3, X-2

3640.

97614-61-4

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-, 6acetate 2,3,4-tris(3-methylpentanoate)

II.A-5, V-3, X-2

3641.

106033-38-9

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-, 6acetate 2,3,4-tris(3-methylpentanoate),
[2(S),3(S),4(S)]-

II.A-5, V-3, X-2

3642.

41055-68-9

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-, labeled
with 13C

II.A-5, X-2

3643.

21291-36-1

0

1

0

α-D-Glucopyranoside, β-D-fructofuranosyl-O-α-Dglucopyranosyl-(1→6)-

II.A-5, X-2

3644.

88848-61-7

0

1

0

β-D-Glucopyranoside, 1,2,3,4,5,6,7,8-octahydro-3hydroxy-1-methyl-7-(1-methylethenyl)-2naphthalenyl 2-O-β-D-glucopyranosyl-, [1S(1α,2β,3α,7β)]-

II.A-5, X-2

139

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3645.

99499-89-5

0

1

0

β-D-Glucopyranoside, 1,2,3,4,5,6,7,8-octahydro-3hydroxy-1-methyl-7-(1-methylethenyl)-2naphthalenyl O-6-deoxy-α-L-mannopyranosyl(1→4)-O-β-D-glucopyranosyl-(1→4)-, [1S(1α,2β,3α,7β)]-

II.A-5, X-2

3646.

138-52-3

0

1

0

β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl-

II.A-5, X-2

3647.

136448-99-2

0

1

0

β-D-Glucopyranoside, 2-[5-(acetyloxy)1,2,3,5,6,7,8,8a-octahydro-8,8a-dimethyl-2naphthalenyl]-2-hydroxypropyl-, 2,3,4,6tetraacetate, [2R-[2α(S*),5α,8β,8aα]]-

II.A-5, V-3, X-2

3648.

75039-16-6

0

1

0

β-D-Glucopyranoside, 2-methyl-4-(1H-purin-6ylamino)-2-butenyl-, mono(dihydrogen phosphate)
(ester), (E)-

II.A-5, V-3, X-2

3649.

62512-96-3

0

1

0

β-D-Glucopyranoside, 2-methyl-4-(1H-purin-6ylamino)butyl-

3650.

78081-83-1

0

1

0

β-D-Glucopyranoside, 3-(4-hydroxy-2,2,6-trimethyl7-oxabicyclo[4.1.0]hept-1-yl)-1-methyl-2-propenyl-

II.A-5, X-2

3651.

63648-83-9

0

1

0

α-D-Glucopyranoside, 3-O-acetyl-β-Dfructofuranosyl-

II.A-5, X-2

3652.

470-57-5

0

1

0

α-D-Glucopyranoside, O-α-D-galactopyranosyl(1→6)-β-D-fructofuranosyl{theanderose}

II.A-5, X-2

3653.

1464-44-4

0

1

0

β-D-Glucopyranoside, phenyl-

II.A-5, X-2

3654.

1405-86-3

0

1

0

2-O-β-D-Glucopyranuronysyl-α-Dglucopyranosiduronic acid, (3β,20β)-20-carboxy11-oxo-30-norolean-12-en-3-yl{glycyrrhizic acid; glycyrrhizin}

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, X-2, XII-2

II.A-5, III-13, IV.A-3, X-2
H3C

COOH

O
CH3

H3C

CH3

CH3
O
HOOC

H3C
O

O

O
OH

HO

COOH

HO
OH

3655.

53596-04-0

0

1

0

2-O-β-D-Glucopyranuronysyl-α-Dglucopyranosiduronic acid, ammoniated (3β,20β)20-carboxy-11-oxo-30-norolean-12-en-3-yl-,
ammoniated
{glycyrrhizic acid ammoniated; glycyrrhizin
ammoniated}

3656.

50-99-7
26655-34-5

1

1

1

α-D-Glucose

3657.

0

1

0

Glucose, labeled with 13C

3658.

0

1

0

α-D-Glucose, labeled with

CH3

OH

X-2

II.A-5, X-2

{Glucose-13C}
14

VIII-3

14

XXV-29

C { α-D-Glucose- C}

3659.

154-17-6

0

1

0

D-Glucose, 2-deoxy-

II.A-5, X-2

3660.

3416-24-8

0

1

0

D-Glucose, 2-deoxy-, 2-amino-

3661.

1398-61-4

0

1

0

D-Glucose, β-(1,4)-2-acetamido-2-deoxy-

3662.

28905-12-6

1

1

1

β-D-Glucose

3663.

9001-22-3

0

1

0

Glucosidase, β-

XXII-2

3664.

9001-42-7

0

1

0

Glucosidase, α-

XXII-2

3665.

9012-47-9

0

1

0

Glucosidase, amylo-1,6-

XXII-2

{glucosamine}

II.A-5, X-2, XII-2
II.A-5, X-2, XIII-1
II.A-5, X-2

140

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3666.

9031-48-5

0

1

0

Glucosyltransferase

XXII-2

3667.

9027-19-4

0

1

0

Glucosyltransferase, uridine diphosphoglucose-1,4β-glucan

XXII-2

3668.

50812-18-5

0

1

0

Glucosyltransferase, uridine diphosphoglucoseflavonol 3-O-glucoside

XXII-2

3669.

9030-05-1

0

1

0

Glucosyltransferase, uridine diphosphoglucosefructose

XXII-2

3670.

9030-06-2

0

1

0

Glucosyltransferase, uridine diphosphoglucosefructose phosphate

XXII-2

3671.

146480-37-7

0

1

0

Glucosyltransferase, uridine diphosphoglucosesalicylate 3-

XXII-2

3672.

37294-28-3

0

1

0

Glucoxylan

3673.

576-37-4

0

1

0

Glucuronic acid

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, VIII-3
HOOC
OH

OH

II.A-5, IV.A-3, X-2

O
HO
OH

3674.

28905-07-9

0

1

0

3675.

9001-45-0

0

1

0

Glucuronidase, β-

3676.

32449-92-6

0

1

0

D-Glucurono-3,6-lactone

II.A-5, V-3, X-2

α-D-Glucuronic acid, methyl ester

XXII-2
II.A-5, VI-3, X-2

OH
O
O

OH
O
OH

3677.

62930-75-0

0

1

0

Glucuronomannan

II.A-5, VIII-3

3678.

77272-02-7

0

1

0

Glucuronomannoarabinan

II.A-5, VIII-3

3679.

6899-05-4

1

1

1

Glutamic acid

3680.

56-86-0

0

1

0

L-Glutamic acid

IV.A-3, IV.B-7, XII-2

3681.

997-68-2

0

1

0

L-Glutamic acid, N-(5-amino-5-carboxypentyl)-, (S)-

IV.A-3, IV.B-7, XII-2

3682.

58-05-9

0

1

0

L-Glutamic acid, N-[4-[[(2-amino-5-formyl1,4,5,6,7,8-hexahydro-4-oxo-6pteridinyl)methyl]amino]benzoyl]-

IV.A-3, IV.B-7, XII-2

3683.

1116-22-9

0

1

0

L-Glutamic acid, N-L-γ-glutamyl-

IV.A-3, IV.B-7, XII-2

3684.

3929-61-1

0

1

0

L-Glutamic acid, N-L-α-glutamyl-

IV.A-3, IV.B-7, XII-2

3685.

6899-04-3

0

1

0

Glutamine

3686.

56-85-9

1

1

1

L-Glutamine

3687.

9046-27-9

0

1

0

Glutamyltransferase, γ-

XXII-2

3688.

9061-41-0

0

1

0

Glutenin

XXII-2

3689.

56-40-6

1

1

1

Glycine

3690.

18875-39-3

0

1

0

Glycine, labeled with 14C

0

1

0

Glycine, N-(1-deoxy-D-fructos-1-yl)-

3691.

HOOC-(CH2)2-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2

H2N-OC-(CH2)2-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2, XIII-1
IV.A-3, IV.B-7, XII-2

H2N-CH2-COOH

IV.A-3, IV.B-7, XII-2
IV.A-3, IV.B-7, XII-2

II.A-5, IV.A-3, IV.B-7, XII-2

3692.

88476-94-2

0

1

0

Glycine, N-(1-nitroso-L-prolyl)-

IV.A-3, IV.B-7, XV-8, XVII.A-4

3693.

70-18-8

0

1

0

Glycine, N-(N-L-γ-glutamyl-L-cysteinyl){glutathione}

IV.A-3, IV.B-7, XII-2, XVIII.A-1

3694.

1071-83-6

0

1

0

Glycine, N-(phosphonomethyl)-

IV.A-3, IV.B-7, XII-2

141

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3695.

1118-68-9

0

1

0

Glycine, N,N-dimethyl-

3696.

73360-07-3

0

1

0

Glycine, N-[2-(2-aminoethoxy)ethenyl]-

3697.

19246-18-5

0

1

0

Glycine, N-L-cysteinyl-

3698.

20661-60-3

0

1

0

Glycine, N-methyl-N-nitro-

3699.

13256-22-9

1

1

1

Glycine, N-methyl-N-nitroso-

3700.

1

1

1

Glycine, N-methyl-N-nitroso-, methyl ester

3701.

0

1

0

Glycosidase

XXII-2
XXII-2

Name (per CA Collective Index)

Chapter
Table

Selected structures

(H3C)2=N-CH2-COOH IV.A-3, IV.B-7, XII-2
IV.A-3, IV.B-7, X-1, XII-2
IV.A-3, IV.B-7, XII-2, XVIII.A-1
XVI-1
{NSAR}

H3C-N(NO)-CH2-COOH
IV.A-3, IV.B-7, XII-2, XV-8
H3C-N(NO)-CH2-COO CH3 V-3, XII-2, XV-8

3702.

9001-97-2

0

1

0

Glycosyltransferase, α-glucan-branching

3703.

37347-76-5

0

1

0

Glyoxalase

3704.

7440-57-5

1

1

1

Gold

3705.

306-60-5

0

1

0

Guanidine, (4-aminobutyl)-

3706.

86-01-1

0

1

0

Guanosine 5'-(tetrahydrogen triphosphate)

3707.

7440-58-6

1

1

1

Hafnium

3708.

9034-32-6

0

1

0

Hemicellulose

VIII-3

3709.

63100-39-0

0

1

0

Hemicellulose A

VIII-3

3710.

63100-40-3

0

1

0

Hemicellulose B

VIII-3

3711.

65058-12-0

0

1

0

Hemicellulose C

3712.

629-94-7

1

1

1

Heneicosane

H3C-(CH2)19-CH3

I.A-10

1

0

0

Heneicosane, 2-methyl-

H3C-CH(CH3)-(CH2)18-CH3

I.A-10

3713.
3714.

XXII-2
Au

XX-5
XII-2
XII-2, XVII.E-8

Hf

XX-5

VIII-3

1

0

0

Heneicosane, 3-methyl-

H3C-CH2-CH(CH3)-(CH2)17-CH3

I.A-10

3715.

2363-71-5

1

1

1

Heneicosanoic acid

H3C-(CH2)19-COOH

4.A-3

3716.

42233-02-3

1

1

1

Heneicosanoic acid, docosyl ester

H3C-(CH2)19-COO-(CH2)21-CH3

V-3

3717.

42232-93-9

1

1

1

Heneicosanoic acid, dodecyl ester

H3C-(CH2)19-COO-(CH2)11-CH3

V-3

3718.

42233-00-1

1

1

1

Heneicosanoic acid, eicosyl ester

H3C-(CH2)19-COO-(CH2)19-CH3

V-3

3719.

42233-01-2

1

1

1

Heneicosanoic acid, heneicosyl ester

H3C-(CH2)19-COO-(CH2)20-CH3

V-3

1

1

1

Heneicosanoic acid, heptacosyl ester

H3C-(CH2)19-COO-(CH2)26-CH3

V-3

42232-98-4

1

1

1

Heneicosanoic acid, heptadecyl ester

H3C-(CH2)19-COO-(CH2)16-CH3

V-3

1

0

0

Heneicosanoic acid, hexacosyl ester

H3C-(CH2)19-COO-(CH2)25-CH3

V-3

3720.
3721.
3722.
3723.

42232-97-3

1

1

1

Heneicosanoic acid, hexadecyl ester

H3C-(CH2)19-COO-(CH2)15-CH3

V-3

3724.

42232-99-5

1

1

1

Heneicosanoic acid, nonadecyl ester

H3C-(CH2)19-COO-(CH2)18-CH3

V-3

3725.

121878-00-0

1

1

1

Heneicosanoic acid, octacosyl ester

H3C-(CH2)19-COO-(CH2)27-CH3

V-3

1

0

0

Heneicosanoic acid, octadecyl ester

H3C-(CH2)19-COO-(CH2)17-CH3

V-3

3726.
3727.

1

1

1

Heneicosanoic acid, pentacosyl ester

H3C-(CH2)19-COO-(CH2)24-CH3

V-3

3728.

42232-96-2

1

1

1

Heneicosanoic acid, pentadecyl ester

H3C-(CH2)19-COO-(CH2)14-CH3

V-3

3729.

42233-04-5

1

1

1

Heneicosanoic acid, tetracosyl ester

H3C-(CH2)19-COO-(CH2)23-CH3

V-3

3730.

42232-95-1

1

1

1

Heneicosanoic acid, tetradecyl ester

H3C-(CH2)19-COO-(CH2)13-CH3

V-3

3731.

42233-03-4

1

1

1

Heneicosanoic acid, tricosyl ester

H3C-(CH2)19-COO-(CH2)22-CH3

V-3

3732.

42232-94-0

1

1

1

Heneicosanoic acid, tridecyl ester

H3C-(CH2)19-COO-(CH2)12-CH3

3733.

36332-94-2

1

1

1

Heneicosanoic acid, 19-methyl-

H3C-CH2-CH(CH3)-(CH2)17-COOH

3734.

121877-70-1

1

1

1

Heneicosanoic acid, 19-methyl-, docosyl ester

H3C-CH2-CH(CH3)-(CH2)17-COO-(CH2)21-CH3
V-3

142

V-3
IV.A-3

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

121877-61-0

1

1

1

Heneicosanoic acid, 19-methyl-, heneicosyl ester

H3C-CH2-CH(CH3)-(CH2)17-COO-(CH2)20-CH3
V-3

3736.

6704-01-4

1

1

1

Heneicosanoic acid, 20-methyl-

(H3C)2=CH-(CH2)18-COOH

3737.

71278-17-6

1

0

0

Heneicosanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester

3738.

15594-90-8

1

1

1

1-Heneicosanol

3739.

1599-68-4

3735.

Name (per CA Collective Index)

Chapter
Table

Selected structures

IV.A-3
V-3

H3C-(CH2)19-CH2OH

II.A-5

1

0

0

1-Heneicosene

H3C-(CH2)18-CH=CH2

I.B-1

3740.

1

0

0

1-Heneicosene, 2-methyl-

H2C=C(CH3)-(CH2)18-CH3

I.B-1

3741.

1

0

0

2-Heneicosene, (Z)-

H3C-CH=CH-(CH2)17-CH3

I.B-1

3742.

1

0

0

2-Heneicosene, (E)-

3743.

1

0

0

2-Heneicosene, 2-methyl-

H3C-C(CH3)H=CH-(CH2)17-CH3

3744.

1

0

0

2-Heneicosene, 19-methyl-,(Z)-

H3C-CH=CH-(CH2)15-CH(CH3)-CH2-CH3 I.B-1

3745.

1

0

0

2-Heneicosene, 19-methyl-, (E)-

3746.

1

0

0

2-Heneicosene, 20-methyl-, (Z)-

3747.

I.B-1
I.B-1

I.B-1
H3C-CH=CH-(CH2)16-CH(CH3)2

I.B-1

1

0

0

2-Heneicosene, 20-methyl-, (E)-

3748.

28984-67-0

1

1

1

Heneicosenoic acid

IV.A-3

3749.

66288-40-2

1

0

0

Heneicosenoic acid, 19-methyl-

IV.A-3

3750.

66288-41-3

1

0

0

Heneicosenoic acid, 20-methyl-

1

0

0

Hentetracontane

6704-02-5

1

0

0

5,9,13,17,21,25,29-Hentriacontaheptaen-2-one,
6,10,14,18,22,26,30-heptamethyl-

3753.

630-04-6

1

1

1

Hentriacontane

H3C-(CH2)29-CH3

I.A-10

3754.

1720-12-3

1

1

1

Hentriacontane, 2-methyl-

(H3C)2=CH-(CH2)28-CH3

I.A-10

3755.

4981-99-1

1

1

1

Hentriacontane, 3-methyl-

H3C-CH2-CH(CH3)-(CH2)27-CH3

I.A-10

3756.

67537-80-8

1

0

0

Hentriacontanoic acid

H3C-(CH2)29-COOH

IV.A-3

3757.

71278-18-7

1

0

0

Hentriacontanoic acid, hentriacontyl ester

H3C-(CH2)29-COO-(CH2)30-CH3

V -3

3758.

502-73-8

1

1

1

16-Hentriacontanone

H3C-(CH2)14-CO-(CH2)14-CH3

III-13

3759.

77046-64-1

1

1

1

Hentriacontene

3760.

18435-54-6

1

0

0

1-Hentriacontene

H3C-(CH2)28-CH=CH2

I.B-1

3761.

1

0

0

1-Hentriacontene, 2-methyl-

H2C=C(CH3)-(CH2)28-CH3

I.B-1

3762.

1

0

0

2-Hentriacontene, (Z)-

H3C-CH=CH-(CH2)27-CH3

I.B-1

3763.

1

0

0

2-Hentriacontene, (E)-

3764.

1

1

1

2-Hentriacontene, 2-methyl-

H3C-C(CH3)=CH-(CH2)27-CH3

3765.

1

0

0

2-Hentriacontene, 29-methyl-, (Z)-

H3C-CH=CH-(CH2)25-CH(CH3)-CH2-CH3
I.B-1

3766.

1

0

0

2-Hentriacontene, 29-methyl-, (E)-

3767.

1

0

0

2-Hentriacontene, 30-methyl-, (Z)-

3751.
3752.

3768.

I.B-1

IV.A-3
H3C-(CH2)39-CH3

I.A-10
III-13

I.B-1

I.B-1
I.B-1

I.B-1
H3C-CH=CH-(CH2)26-CH(CH3)2

I.B-1

1

0

0

2-Hentriacontene, 30-methyl-, (E)-

3769.

7719-93-9

1

1

1

Heptacontane

I.B-1

3770.

32304-17-9

1

1

1

5,9,13,17,21,25-Heptacosahexaen-2-one,
6,10,14,18,22,26-hexamethyl-, (all-E)-

3771.

593-49-7

1

1

1

Heptacosane

H3C-(CH2)25-CH3

I.A-10

3772.

1561-00-8

1

1

1

Heptacosane, 2-methyl-

(H3C)2=CH-(CH2)24-CH3

I.A-10

H3C-(CH2)35-CH3

I.A-10
III-13

143

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

14167-66-9

1

1

1

Heptacosane, 3-methyl-

H3C-CH2-CH(CH3)-(CH2)23-CH3

3774.

7138-40-1

1

0

0

Heptacosanoic acid

H3C-(CH2)25-COOH

3775.

121877-96-1

1

1

1

Heptacosanoic acid, docosyl ester

H3C-(CH2)25-COO-(CH2)21-CH3

V-3

1

1

1

Heptacosanoic acid, dodecyl ester

H3C-(CH2)25-COO-(CH2)11-CH3

V-3

117063-83-9

1

1

1

Heptacosanoic acid, eicosyl ester

H3C-(CH2)25-COO-(CH2)19-CH3

V-3

3778.

1

1

1

Heptacosanoic acid, heneicosyl ester

H3C-(CH2)25-COO-(CH2)20-CH3

V-3

3779.

1

1

1

Heptacosanoic acid, heptacosyl ester

H3C-(CH2)25-COO-(CH2)26-CH3

V-3

3780.

1

1

1

Heptacosanoic acid, heptadecyl ester

H3C-(CH2)25-COO-(CH2)16-CH3

V-3

3781.

1

1

1

Heptacosanoic acid, hexacosyl ester

H3C-(CH2)25-COO-(CH2)25-CH3

V-3

3782.

1

1

1

Heptacosanoic acid, hexadecyl ester

H3C-(CH2)25-COO-(CH2)15-CH3

V-3

3783.

1

1

1

Heptacosanoic acid, nonadecyl ester

H3C-(CH2)25-COO-(CH2)18-CH3

V-3

3784.

1

1

1

Heptacosanoic acid, octadecyl ester

H3C-(CH2)25-COO-(CH2)17-CH3

V-3

3785.

1

1

1

Heptacosanoic acid, pentacosyl ester

H3C-(CH2)25-COO-(CH2)24-CH3

V-3

3786.

1

1

1

Heptacosanoic acid, pentadecyl ester

H3C-(CH2)25-COO-(CH2)14-CH3

V-3

3787.

1

1

1

Heptacosanoic acid, tetracosyl ester

H3C-(CH2)25-COO-(CH2)231-CH3

V-3

3788.

1

1

1

Heptacosanoic acid, tetradecyl ester

H3C-(CH2)25-COO-(CH2)13-CH3

V-3

3789.

1

1

1

Heptacosanoic acid, tricosyl ester

H3C-(CH2)25-COO-(CH2)22-CH3

V-3

3790.

1

1

1

Heptacosanoic acid, tridecyl ester

H3C-(CH2)25-COO-(CH2)12-CH3

V-3

3773.

3776.
3777.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.A-10
IV.A-3

3791.

121878-01-1

1

1

1

Heptacosanoic acid, 25-methyl-, docosyl ester

H3C-CH2CH(CH3)-(CH2)23-COO-(CH2)21-CH3
V-3

3792.

121877-93-8

1

1

1

Heptacosanoic acid, 25-methyl-, heneicosyl ester

H3C-CH2CH(CH3)-(CH2)23-COO-(CH2)20-CH3
V-3

3793.

2004-39-9

0

1

0

1-Heptacosanol

H3C-(CH2)25-CH2OH

II.A-5

3794.

63785-26-2

0

1

0

1-Heptacosanol, 26-methyl-

(H3C)2=CH-(CH2)24-CH2OH

II.A-5

3795.

542-50-7

0

1

0

14-Heptacosanone

H3C-(CH2)12-CO-(CH2)12-CH3

III-13

3796.

67537-80-8

1

0

0

Heptacosene

3797.

15306-27-1

1

0

0

1-Heptacosene

H3C-(CH2)24-CH=CH2

I.B-1

3798.

1

0

0

2-Heptacosene, (Z)-

H3C-CH=CH-(CH2)23-CH3

3799.

1

0

0

2-Heptacosene, (E)-

3800.

1

0

0

2-Heptacosene, 2-methyl-

H3C-C(CH3)=CH-(CH2)23-CH3

3801.

1

0

0

2-Heptacosene, 25-methyl-, (Z)-

H3C-CH=CH-(CH2)21-CH(CH3)-CH2-CH3
I.B-1

3802.

1

0

0

2-Heptacosene, 25-methyl-, (E)-

3803.

1

0

0

2-Heptacosene, 26-methyl-, (Z)-

3804.

I.B-1

I.B-1
I.B-1
I.B-1

I.B-1
H3C-CH=CH-(CH2)22-CH(CH3)2

I.B-1

1

0

0

2-Heptacosene, 26-methyl-, (E)-

I.B-1

3805.

56797-42-3

0

1

0

8,11-Heptadecadienal, (Z,Z)-

III-12

3806.

37822-80-3

0

1

0

Heptadecadienoic acid, methyl ester

3807.

629-90-3

0

1

0

Heptadecanal

H3C-(CH2)15-CH=O

3808.

629-78-7

1

1

1

Heptadecane

H3C-(CH2)15-CH3

3809.

1560-89-0

1

1

1

Heptadecane, 2-methyl-

H3C-(CH2)14-CH=(CH3)2

I.A-10

0

1

0

Heptadecane, 3-methyl-

H3C-(CH2)13-CH(CH3)-CH2-CH3

I.A-10

1

0

0

Heptadecane, 8-methyl-

H3C-(CH2)6-CH(CH3)-(CH2)8-CH3

I.A-10

3810.
3811.

13287-23-5

V-3
III-12
I.A-10

144

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3812.

506-12-7

1

1

1

Heptadecanoic acid

3813.

42218-25-7

1

1

1

Heptadecanoic acid, docosyl ester

H3C-(CH2)15-COO-(CH2)21-CH3

V-3

3814.

42232-43-9

1

1

1

Heptadecanoic acid, dodecyl ester

H3C-(CH2)15-COO-(CH2)11-CH3

V-3

3815.

36617-53-5

1

1

1

Heptadecanoic acid, eicosyl ester

H3C-(CH2)15-COO-(CH2)19-CH3

V-3

3816.

42232-52-0

1

1

1

Heptadecanoic acid, heneicosyl ester

H3C-(CH2)15-COO-(CH2)20-CH3

V-3

1

1

1

Heptadecanoic acid, heptacosyl ester

H3C-(CH2)15-COO-(CH2)26-CH3

V-3

3818.

36617-50-2

1

1

1

Heptadecanoic acid, heptadecyl ester

H3C-(CH2)15-COO-(CH2)16-CH3

V-3

3819.

121877-64-3

1

1

1

Heptadecanoic acid, hexacosyl ester

H3C-(CH2)15-COO-(CH2)25-CH3

V-3

3820.

36617-49-9

1

1

1

Heptadecanoic acid, hexadecyl ester

H3C-(CH2)15-COO-(CH2)15-CH3

V-3

3821.

1731-92-6

1

1

1

Heptadecanoic acid, methyl ester

H3C-(CH2)15-COO-CH3

V-3

3822.

36617-52-4

1

1

1

Heptadecanoic acid, nonadecyl ester

H3C-(CH2)15-COO-(CH2)18-CH3

V-3

3823.

36617-51-3

1

1

1

Heptadecanoic acid, octadecyl ester

H3C-(CH2)15-COO-(CH2)17-CH3

V-3

1

1

1

Heptadecanoic acid, pentacosyl ester

H3C-(CH2)15-COO-(CH2)24-CH3

V-3

3825.

36617-48-8

1

1

1

Heptadecanoic acid, pentadecyl ester

H3C-(CH2)15-COO-(CH2)14-CH3

V-3

3826.

42232-54-2

1

1

1

Heptadecanoic acid, tetracosyl ester

H3C-(CH2)15-COO-(CH2)23-CH3

V-3

3827.

36617-47-7

1

1

1

Heptadecanoic acid, tetradecyl ester

H3C-(CH2)15-COO-(CH2)13-CH3

V-3

3828.

42232-53-1

1

1

1

Heptadecanoic acid, tricosyl ester

H3C-(CH2)15-COO-(CH2)22-CH3

V-3

3829.

36617-46-6

1

1

1

Heptadecanoic acid, tridecyl ester

H3C-(CH2)15-COO-(CH2)12-CH3

V-3

3830.

29709-08-8

1

1

1

Heptadecanoic acid, 15-methyl-

H3C-CH2-CH(CH3)-(CH2)13-COOH IV.A-3

3831.

121877-42-7

1

1

1

Heptadecanoic acid, 15-methyl-, heneicosyl ester

H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)20-CH3
V-3

3832.

121877-68-7

1

1

1

Heptadecanoic acid, 15-methyl-, hexacosyl ester

H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)25-CH3
V-3

3833.

121877-81-4

1

1

1

Heptadecanoic acid, 15-methyl-, octacosyl ester

H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)27-CH3
V-3

3834.

121877-52-9

1

1

1

Heptadecanoic acid, 15-methyl-, tricosyl ester

H3C-CH2-CH(CH3)-(CH2)13-COO-(CH2)22-CH3
V-3

3835.

2724-58-5

1

1

1

Heptadecanoic acid, 16-methyl-

(H3C)2=CH-(CH2)14-COOH

3836.

150462-99-0

0

1

0

Heptadecanoic acid, 16-methyl-, 2-(acetyloxy)-1(hydroxymethyl)ethyl ester

II.A-5, V-3

3837.

150462-98-9

0

1

0

Heptadecanoic acid, 16-methyl-, 3-(acetyloxy)-2hydroxypropyl ester

II.A-5, V-3

3838.

121877-46-1

1

1

1

Heptadecanoic acid, 16-methyl-, docosyl ester

(H3C)2=CH-(CH2)14-COO-(CH2)21-CH3 V-3

3839.

52458-35-2

0

1

0

Heptadecanoic acid, 16-methyl-, ethyl ester

(H3C)2=CH-(CH2)14-COO-C2H5

V-3

3840.

121877-36-9

1

1

1

Heptadecanoic acid, 16-methyl-, heneicosyl ester

(H3C)2=CH-(CH2)14-COO-(CH2)20-CH3

V-3

3841.

5129-61-3

0

1

0

Heptadecanoic acid, 16-methyl-, methyl ester

(H3C)2=CH-(CH2)14-COO-CH3

V-3

3842.

121877-50-7

1

1

1

Heptadecanoic acid, 16-methyl-, tricosyl ester

(H3C)2=CH-(CH2)14-COO-(CH2)22-CH3

0

1

0

Heptadecanoic acid, 3,7,11,15,19,23,27,31,35nonamethyl-2,6,10,14,18,22,26,30,34hexatriacontanonaenyl ester

V-3

V-3

3817.

3824.

Name (per CA Collective Index)

Chapter
Table

Selected structures
H3C-(CH2)15-COOH

IV.A-3

IV.A-3

V-3
3843.

3844.

71278-19-8

1

0

0

Heptadecanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester

3845.

1454-85-9

1

1

1

1-Heptadecanol

H3C-(CH2)15-CH2OH

II.A-5

145

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3846.

41744-75-6

1

0

0

1-Heptadecanol, 16-methyl-

3847.

56797-44-5

0

1

0

8,11,14-Heptadecatrienal, (Z,Z,Z)-

3848.

37822-82-5

0

1

0

Heptadecatrienoic acid, methyl ester

3849.

26266-05-7

1

1

1

Heptadecene

H-(CH2)15-n-CH=CH-(CH2)n-H

I.B-1

3850.

6765-39-5

1

0

0

1-Heptadecene

H3C-(CH2)14-CH=CH2

I.B-1

3851.

1

0

0

1-Heptadecene, 2-methyl-

H2C=C(CH3)-(CH2)14-CH3

I.B-1

3852.

1

0

0

2-Heptadecene, (Z)-

H3C-CH=CH-(CH2)13-CH3

I.B-1

3853.

1

0

0

2-Heptadecene, (E)-

3854.

1

0

0

2-Heptadecene, 2-methyl-

H3C-C(CH3)=CH-(CH2)13-CH3

I.B-1

3855.

1

0

0

2-Heptadecene, 15-methyl-, (Z)-

H3C-CH=CH-(CH2)11-CH(CH3)-CH2-CH3
I.B-1

3856.

1

0

0

2-Heptadecene, 15-methyl-, (E)-

3857.

1

0

0

2-Heptadecene, 16-methyl-, (Z)-

3858.

Name (per CA Collective Index)

Chapter
Table

Selected structures
(H3C)2=CH-(CH2)14-CH2OH

II.A-5
III-12
V-3

I.B-1

I.B-1
H3C-CH=CH-(CH2)12-CH(CH3)2

I.B-1

1

0

0

2-Heptadecene, 16-methyl-, (E)-

3859.

36232-39-0

1

0

0

2-Heptadecene, 4-methylene-8,12,16-trimethyl-

H3C-CH=CH-C(=CH2)-CH2-{(CH2)2-CH(CH3)CH2}3-H
I.B-1

3860.

26265-99-6

1

1

1

Heptadecenoic acid

H-(CH2)14-n-CH=CH-(CH2)n-COOH IV.A-3

3861.

31424-16-5

0

1

0

Heptadecenoic acid, methyl ester

H-(CH2)14-n-CH=CH-(CH2)n-COO-CH3 V-3

3862.

4313-03-5
5910-85-0

0

1

0

2,4-Heptadienal

O=CH-CH=CH-CH=CH-CH2-CH=O

3863.

51945-98-3

0

1

0

1,5-Heptadiene-3,4-diol

H3C-CH=CH-CHOH-CHOH-CH=CH2
II.A-5

3864.

74630-29-8

0

1

0

1,5-Heptadiene, 3,3,5-trimethyl-

H3C-CH=C(CH3)-CH2-C(CH3)2-CH=CH2
I.B-1

1

0

0

2,4-Heptadiene, 2,6-dimethyl-

3866.

72693-11-9

1

1

1

2,5-Heptadienoic acid, 2,3-dimethyl-

IV.A-3

3867.

54557-55-0

0

1

0

4,6-Heptadienoic acid, 6-methyl-3-(1-methylethyl)-,
(E)-

IV.A-3

3868.

54557-57-2

0

1

0

4,6-Heptadienoic acid, 6-methyl-3-(1-methylethyl)-,
methyl ester, (E)-

V-3

3869.

77411-76-8

0

1

0

3,5-Heptadien-2-ol, 2,6-dimethyl-

II.A-5

3870.

57935-33-8

0

1

0

4,6-Heptadien-1-ol, 6-methyl-3-(1-methylethyl)-, (E)-

II.A-5

3871.

79-78-7

0

1

0

1,6-Heptadien-3-one, 1-(2,6,6-trimethyl-2cyclohexen-1-yl){allylionone}

III-13

0

1

0

3,5-Heptadien-2-one, 6-methyl-, (Z)-

III-13

1

1

1

3,5-Heptadien-2-one, 6-methyl-, (E)-

0

1

0

4,6-Heptadien-2-one, 5-(1-methylethyl)-7(tetrahydro-2-methylfuranyl)-

3865.

3872.
3873.

1604-28-0

3874.

I.B-1

III-12

I.B-1

(H3C)2=C=CH-CH=CH-CO-CH3

III-13
III-13, X-2

3875.

3511-27-1

1

0

0

1,5-Heptadien-3-yne

H3C-CH=CH-C≡C-CH=CH2

I.B-1

3876.

111-71-7

1

0

0

Heptanal

H3C-(CH2)5-CH=O

III-12

3877.

111-68-2

1

1

1

1-Heptanamine

H3C-(CH2)6-NH2

XII-2

3878.

142-82-5

1

0

0

Heptane

H3C-(CH2)5-CH3

3879.

629-06-1

1

0

0

Heptane, 1-chloro-

H3C-(CH2)5-CH2Cl

1

0

0

Heptane, dimethyl-

3880.

I.A-10
XVIII.B-3
I.A-10

146

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

2213-23-2

0

1

0

Heptane, 2,4-dimethyl-

3882.

592-27-8

1

0

0

Heptane, 2-methyl-

H3C-(CH2)4-CH=(CH3)2

I.A-10

3883.

15869-80-4

1

0

0

Heptane, 3-ethyl-

H3C-(CH2)3-CH=(C2H5)2

I.A-10

3884.

589-81-1

1

0

0

Heptane, 3-methyl-

H3C-(CH2)3-CH(CH3)-CH2-CH3

I.A-10

3885.

1632-16-2

0

1

0

Heptane, 3-methylene-

H3C-(CH2)3-C(=CH2)-CH2-CH3

3886.

646-20-8

1

0

0

Heptanedinitrile

3887.

111-16-0

1

0

0

Heptanedioic acid

3888.

535-24-0

0

1

0

Heptanedioic acid, 2,6-diamino-3-hydroxy-

3889.

96-04-8

1

0

0

2,3-Heptanedione

H3C-(CH2)3-CO-CO-CH3

III-13

3890.

7307-02-0

1

0

0

2,4-Heptanedione

H3C-(CH2)2-CO-CH2-CO-CH3

III-13

3891.

3002-23-1

0

1

0

2,4-Heptanedione, 6-methyl-

(H3C)2=CH-CH2-CO-CH2-CO-CH3

0

1

0

2,5-Heptanedione, 4-(1-methylethyl)-

3881.

3892.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.A-10

I.B-1

NC-(CH2)5-CN
{pimelic acid}

XI-2

HOOC-(CH2)5-COOH

IV.A-3
II.A-5, IV.A-3, XII-2

III-13
III-13

3893.

13901-85-4

0

1

0

2,5-Heptanedione, 6-methyl-

(H3C)2=CH-CO-(CH2)2-CO-CH3

III-13

3894.

13505-34-5

1

1

1

2,6-Heptanedione

H3C-CO-(CH2)3-CO-CH3

III-13

0

1

0

2,6-Heptanedione, 3-methyl-

111-14-8

1

1

1

Heptanoic acid

0

1

0

Heptanoic acid, 2-ethyl-

3895.
3896.
3897.

H3C-CO-CH(CH3)-(CH2)2-CO-CH3
{enanthic acid}

H3C-(CH2)5-COOH

III-13
IV.A-3
IV.A-3

3898.

59262-53-2

0

1

0

Heptanoic acid, 3-(1-methylethyl)-6-oxo-, (S)-

3899.

39815-78-6

0

1

0

Heptanoic acid, 3-oxo-, methyl ester

III-13, IV.A-3

3900.

1070-68-4

0

1

0

Heptanoic acid, 5-methyl-

IV.A-3

3901.

42330-36-9

0

1

0

Heptanoic acid, 5-methyl-, (S)-

IV.A-3

3902.

929-10-2

0

1

0

Heptanoic acid, 6-methyl-

IV.A-3

3903.

3128-07-2

1

0

0

Heptanoic acid, 6-oxo-

3904.

98188-02-4

0

1

0

Heptanoic acid, 7-(2-furanyl)-, methyl ester

3905.

106-30-9

0

1

0

Heptanoic acid, ethyl ester

H3C-(CH2)5-COO-C2H5

V-3

3906.

106-73-0

0

1

0

Heptanoic acid, methyl ester

H3C-(CH2)5-COO-CH3

V-3

3907.

111-70-6

1

1

1

1-Heptanol

H3C-(CH2)5-CH2OH

3908.

1653-40-3

0

1

0

1-Heptanol, 6-methyl-

3909.

543-49-7

0

1

0

2-Heptanol

3910.

110-43-0

1

1

1

2-Heptanone

3911.

52812-44-9

1

0

0

2-Heptanone, 5-(3-acetyloxiranyl)-6-methyl-

3912.

52812-43-8

0

1

0

2-Heptanone, 5-[3-(1-hydroxy-1methylethyl)oxiranyl]-6-methyl-

3913.

0

1

0

2-Heptanone, 5-(2,3-dihydro-4-methyl-6-pyranyl)-6methyl-

3914.

0

1

0

2-Heptanone, 5-(5,6-dihydro-4-methyl-2-pyranyl)-6methyl-

H3C-(CH2)3-CO-CH2-COO-CH3 III-13, V-3

H3C-CO-(CH2)4-COOH

III-13, IV.A-3
V-3, X-2

II.A-5
II.A-5

{methyl pentyl ketone}

H3C-(CH2)4-CHOH-CH3

II.A-5

H3C-(CH2)4-CO-CH3

III-13
III-13
II.A-5, III-13, X-2
III-13, X-2
III-13, X-2

H3C
O
CH3

H3C
O

3915.

121269-00-9

0

1

0

2-Heptanone, 6-(5-methyl-2-furanyl)-

3916.

72693-12-0

1

0

0

2-Heptanone, 6-hydroxy-

CH3

III-13, X-2
H3C-CHOH-(CH2)3-CO-CH3

II.A-5, III-13

147

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3917.

928-68-7

1

1

1

2-Heptanone, 6-methyl-

3918.

41059-93-2

0

1

0

2-Heptanone, 6-methyl-5-(4-methyl-2-furanyl){solanofuran}

3919.

106-35-4

1

0

0

3-Heptanone

3920.

19549-83-8

1

0

0

3-Heptanone, 2,6-dimethyl-

3921.

123-19-3

1

0

0

4-Heptanone

3922.

108-83-8

1

0

0

4-Heptanone, 2,6-dimethyl-

1

1

1

Heptatriacontane

H3C-(CH2)35-CH3

3924.

24587-25-5

1

0

0

1,3,5-Heptatriene

H3C-(CH=CH)2-CH=CH2

3925.

2463-63-0

0

1

0

2-Heptenal

H3C-(CH2)3-CH=CH-CH=O

3926.

30567-26-1

1

0

0

2-Heptenal, 2-methyl-

H3C-(CH2)3-CH=C(CH3)-CH=O

3927.

34098-52-7

0

1

0

D-xylo-Hept-2-enaric acid, 2,6-anhydro-3-deoxy{2H-pyran-2,4-dicarboxylic acid, 3,4-dihydro-3,4dihydroxy-}

3928.

592-76-7

1

0

0

1-Heptene

H2C=CH-(CH2)4-CH3

I.B-1

3929.

592-77-8

1

0

0

2-Heptene

H3C-CH=CH-(CH2)3-CH3

I.B-1

3930.

77288-93-8

0

1

0

2-Heptene-1,6-diol, 3-(1-methylethyl)-, (E)-

H3C-CHOH-(CH2)2-C[CH(CH3)2] =CH-CH2OH
II.A-5

3931.

21504-51-8

0

1

0

3-Heptene-2,5-dione, 6-methyl-

3932.

25377-46-2

1

1

1

Heptenoic acid

3933.

18999-28-5

0

1

0

2-Heptenoic acid

H3C-(CH2)3-CH=CH-COOH

3934.

499-84-3

0

1

0

2-Heptenoic acid, 3-(1-methylethyl)-6-oxo-

H3C-CO-(CH2)2-C[CH(CH3)2]=CH-COOH
III-13, IV.A-3

3935.

41654-06-2

0

1

0

2-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, (E)-

III-13, IV.A-3

3936.

63892-03-5

0

1

0

2-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, (Z)-

III-13, IV.A-3

3937.

35194-37-7

0

1

0

4-Heptenoic acid

3938.

41653-95-6

0

1

0

4-Heptenoic acid, (Z)-

3939.

105728-84-5

0

1

0

4-Heptenoic acid, 6-hydroxy-

3940.

41654-07-3

0

1

0

4-Heptenoic acid, 3-(1-methylethyl)-6-oxo-, (E)-

H3C-CO-CH=CH-CH[CH(CH3)2]-CH2-COOH
III-13, IV.A-3

3941.

1119-60-4

0

1

0

6-Heptenoic acid

H2C=CH-(CH2)4-COOH

IV.A-3

0

1

0

6-Heptenoic acid, 5-methyl-

H2C=CH-CH(CH3)-(CH2)3-COOH

IV.A-3

H2C=CH-(CH2)2-CO-CH2-COO-CH3

3923.

3942.

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13

{ethyl butyl ketone}

{butyrone; dipropyl ketone}

O

III-13, X-2

O

H3C-CH2-CO-(CH2)3-CH3

III-13
III-13

H3C-(CH2)2-CO-(CH2)2-CH3

III-13
III-13
I.A-10
I.B-1
III-12
III-12
II.A-5

III-13
IV.A-3
IV.A-3

H3C-CH2-CH=CH-(CH2)2-COOH

IV.A-3
IV.A-3

II.A-5, IV.A-3

3943.

30414-57-4

0

1

0

6-Heptenoic acid, 3-oxo-, methyl ester

3944.

1335-09-7

0

1

0

Heptenol, methyl-

3945.

33467-78-4

0

1

0

2-Hepten-1-ol (E)

3946.

55454-22-3

0

1

0

2-Hepten-1-ol (Z)

II.A-5

3947.

70898-26-9

0

1

0

3-Hepten-2-ol, 5-ethyl-2,6-dimethyl-

II.A-5

0

1

0

3-Hepten-2-ol, 5-(1-methylethy)-2-methyl-

II.A-5

58927-84-7

0

1

0

4-Hepten-2-ol, 6-methyl-, (E)-

II.A-5

V-3

3948.
3949.

II.A-5
H3C-(CH2)3-CH=CH-CH2OH

II.A-5

148

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

3950.

1569-60-4

0

1

0

5-Hepten-2-ol, 6-methyl-

3951.

42201-30-9

0

1

0

6-Hepten-2-ol, 4-methylene-

3952.

57782-61-3

0

1

0

6-Hepten-2-ol, 5-(1-methylethyl)-7-(tetrahydro-2methyl-2-furanyl)-

3953.

409-02-9

0

1

0

Heptenone, methyl-

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5
II.A-5
II.A-5, X-2
III-13

3954.

1119-44-4

0

1

0

3-Hepten-2-one

3955.

129742-47-8

0

1

0

3-Hepten-2-one, 5-ethyl-5-hydroxy-6-methyl-, [R(E)]-

3956.

57283-79-1

0

1

0

3-Hepten-2-one, 5-ethyl-6-methyl-

3957.

50767-76-5

0

1

0

3-Hepten-2-one, 5-ethyl-6-methyl-, (E)-

III-13

0

1

0

3-Hepten-2-one, 5-(1-methylethyl)-

III-13

3958.

H3C-(CH2)2-CH=CH-CO-CH3

III-13
II.A-5, III-13
III-13

3959.

2009-74-7

1

1

1

3-Hepten-2-one, 6-methyl-

3960.

152209-54-6

0

1

0

3-Hepten-2-one, 5-(1-methylethyl)-7-[2-methyl-3-(3methyl-5-oxo-3-hexenyl)oxiranyl]-, [2S[2α(3E,5R*),3β(E)]]-

III-13

3961.

110-93-0

1

1

1

5-Hepten-2-one, 6-methyl-

3962.

57782-60-2

0

1

0

6-Hepten-2-one, 5-(1-methylethyl)-7-(tetrahydro-2methyl-2-furanyl)-

III-13, X-2

III-13
III-13, X-2

CH3
O

CH=CH-CH-(CH 2)2-CO-CH

H3C

CH3

3963.

104669-35-4

0

1

0

6-Hepten-2-one, 5-(1-methylethyl)-7-(tetrahydro-4hydroxy-2-methyl-2-furanyl)-

II.A-5, III-13, X-2

3964.

160115-55-9

0

1

0

6-Hepten-2-one, 7-[4-(acetyloxy)tetrahydro-5hydroxy-2-methyl-2-furanyl]-5-(1-methylethyl)-

II.A-5, III-13, X-2

3965.

117210-48-7

0

1

0

6-Hepten-2-one, 7-[tetrahydro-2-methyl-5-(1methylethyl)-2-furanyl]-

II.A-5, III-13, X-2

3966.

628-71-7

1

0

0

1-Heptyne

H3C-(CH2)4-C≡CH

I.B-1

3967.

2586-89-2

1

0

0

3-Heptyne

H3C-(CH2)2-C≡C-CH2-CH3

I.B-1

3968.

630-01-3

1

1

1

Hexacosane

H3C-(CH2)24-CH3

I.A-10

3969.

1561-02-0

1

1

1

Hexacosane, 2-methyl-

(H3C)2=CH-(CH2)23-CH3

I.A-10

3970.

65820-56-6

0

1

0

Hexacosane, 3-methyl-

3971.

506-46-7

1

1

1

Hexacosanoic acid

3972.

108657-23-4

1

1

1

Hexacosanoic acid, docosyl ester

H3C-(CH2)24-COO-(CH2)21-CH3

V-3

1

1

1

Hexacosanoic acid, dodecyl ester

H3C-(CH2)24-COO-(CH2)11-CH3

V-3

1

1

1

Hexacosanoic acid, eicosyl ester

H3C-(CH2)24-COO-(CH2)19-CH3

V-3

1

1

1

Hexacosanoic acid, ester with olean-12-en-3-ol,
(3β){β-amyrenyl hexacosanoate)

3973.
3974.

121877-83-6

3975.

{cerotinic acid}

H3C-CH2-CH(CH3)-(CH2)22-CH3

I.A-10

H3C-(CH2)24-COOH

IV.A-3

V3

3976.

121877-89-2

1

1

1

Hexacosanoic acid, heneicosyl ester

H3C-(CH2)24-COO-(CH2)20-CH3

V-3

3977.

75696-56-9

1

1

1

Hexacosanoic acid, heptacosyl ester

H3C-(CH2)24-COO-(CH2)26-CH3

V-3

3978.

1

1

1

Hexacosanoic acid, heptadecyl ester

H3C-(CH2)24-COO-(CH2)16-CH3

V-3

3979.

1

1

1

Hexacosanoic acid, hexacosyl ester

H3C-(CH2)24-COO-(CH2)25-CH3

V-3

3980.

1

1

1

Hexacosanoic acid, hexadecyl ester

H3C-(CH2)24-COO-(CH2)15-CH3

V-3

3981.

1

1

1

Hexacosanoic acid, nonadecyl ester

H3C-(CH2)24-COO-(CH2)18-CH3

V-3

3982.

1

1

1

Hexacosanoic acid, octadecyl ester

H3C-(CH2)24-COO-(CH2)17-CH3

V-3

149

1

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
S

T

S
T

3983.

1

1

1

Hexacosanoic acid, pentacosyl ester

3984.

1

1

1

3985.

1

1

1

CAS No.

3986.

Name (per CA Collective Index)

Chapter
Table

Selected structures
H3C-(CH2)24-COO-(CH2)24-CH3

V-3

Hexacosanoic acid, pentadecyl ester

H3C-(CH2)24-COO-(CH2)14-CH3

V-3

Hexacosanoic acid, tetracosyl ester

H3C-(CH2)24-COO-(CH2)23-CH3

V-3

1

1

1

Hexacosanoic acid, tetradecyl ester

H3C-(CH2)24-COO-(CH2)193-CH3

V-3

121877-97-2

1

1

1

Hexacosanoic acid, tricosyl ester

H3C-(CH2)24-COO-(CH2)22-CH3

V-3

1

1

1

Hexacosanoic acid, tridecyl ester

H3C-(CH2)24-COO-(CH2)12-CH3

V-3

3989.

121877-92-7

1

1

1

Hexacosanoic acid, 24-methyl-, docosyl ester

3990.

121877-90-5

1

1

1

Hexacosanoic acid, 24-methyl-, heneicosyl ester

3991.

506-52-5

0

1

0

1-Hexacosanol

3992.

63785-25-1

0

1

0

1-Hexacosanol, 24-methyl-

II.A-5

0

1

0

1-Hexacosanol, 25-methyl-

II.A-5

3994.

84808-91-9

1

0

0

Hexacosene

I.B-1

3995.

18835-33-1

3987.
3988.

3993.

V-3
V-3
H3C-(CH2)24-CH2OH

II.A-5

1

0

0

1-Hexacosene

H2C=CH-(CH2)23-CH3

I.B-1

3996.

1

0

0

1-Hexacosene, 2-methyl-

H2C=C(CH3)-(CH2)23-CH3

I.B-1

3997.

1

0

0

2-Hexacosene, (Z)-

H3C-CH=CH-(CH2)22-CH3

I.B-1

3998.

1

0

0

2-Hexacosene, (E)-

3999.

1

0

0

2-Hexacosene, 2-methyl-

H3C-C(CH3)=CH-(CH2)22-CH3

4000.

1

0

0

2-Hexacosene, 24-methyl-, (Z)-

H3C-CH=CH-(CH2)20-CH(CH3)-CH2-CH3
I.B-1

4001.

1

0

0

2-Hexacosene, 24-methyl-, (E)-

4002.

1

0

0

2-Hexacosene, 25-methyl-, (Z)-

4003.

1

0

0

2-Hexacosene, 24-methyl-, (E)-

I.B-1
I.B-1

I.B-1
H3C-CH=CH-(CH2)21-CH(CH3)2

I.B-1
I.B-1

4004.

30917-33-0

1

0

0

1,3-Hexadecadiene, 2,6,10,14-tetramethyl-

H[CH2CH2CH(CH3)CH2] 3-CH=CHC(CH3)=CH2

I.B-1

4005.

21980-71-2

1

0

0

1,3-Hexadecadiene, 3,7,11,15-tetramethyl{phytadiene}

H[CH2CH(CH3)CH2CH2] 3-CH=CHC(CH3)=CH2

I.B-1

4006.

1

0

0

1,3-Hexadecadiene, 2,6,10-trimethyl-

I.B-1

4007.

0

1

0

2,4-Hexadexadiene, 3,7,11,15-tetramethyl-

I.B-1

4008.

25377-52-0

1

1

1

Hexadecadienoic acid

4009.

29961-54-4

0

1

0

Hexadecadienoic acid, methyl ester

4010.

629-80-1

0

1

0

Hexadecanal

H3C-(CH2)14-CH=O

4011.

544-76-3

1

1

1

Hexadecane

H3C-(CH2)14-CH3

I.A-10

4012.

1560-92-5

0

1

0

Hexadecane, 2-methyl-

H3C-(CH2)13-CH=(CH3)2

I.A-10

0

1

0

Hexadecane, 3-methyl-

H3C-(CH2)12-CH(CH3)-CH2-CH3

I.A-10

4014.

638-36-8

1

1

1

Hexadecane, 2,6,10,14-tetramethyl-

4015.

36232-38-9

1

0

0

Hexadecane, 2,6,10-trimethyl-14-methylene-

4016.

60922-91-0

1

0

0

Hexadecane, mixt. with pentane

4017.

505-54-4

0

1

0

Hexadecanedioic acid

4018.

57-10-3

1

1

1

Hexadecanoic acid

4019.

42232-33-7

1

1

1

Hexadecanoic acid, docosyl ester

H3C-(CH2)14-COO-(CH2)21-CH3

4020.

42232-29-1

1

1

1

Hexadecanoic acid, dodecyl ester

H3C-(CH2)14-COO-(CH2)11-CH3

V-3

4021.

80252-38-6

1

1

1

Hexadecanoic acid, dotriacontyl ester

H3C-(CH2)14-COO-(CH2)31-CH3

V-3

4013.

{palmitolenic acid}

IV.A-3
V-3
III-12

{phytane}

I.A-10
I.B-1
I.A-10

{palmitic acid}

HOOC-(CH2)14-COOH

IV.A-3

H3C-(CH2)14-COOH

IV.A-3

150

V-3

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

22413-01-0

1

1

1

Hexadecanoic acid, eicosyl ester

4023.

628-97-7

1

1

1

Hexadecanoic acid, ethyl ester

H3C-(CH2)14-COO-CH2-CH3

V-3

4024.

42232-32-6

1

1

1

Hexadecanoic acid, heneicosyl ester

H3C-(CH2)14-COO-(CH2)20-CH3

V-3

4025.

94632-82-3

1

1

1

Hexadecanoic acid, heptacosyl ester

H3C-(CH2)14-COO-(CH2)26-CH3

V-3

4026.

18466-06-3

1

1

1

Hexadecanoic acid, heptadecyl ester

H3C-(CH2)14-COO-(CH2)16-CH3

V-3

4027.

60007-87-6

1

1

1

Hexadecanoic acid, hexacosyl ester

H3C-(CH2)14-COO-(CH2)25-CH3

V-3

4028.

540-10-3

1

1

1

Hexadecanoic acid, hexadecyl ester

H3C-(CH2)14-COO-(CH2)15-CH3

V-3

4029.

23470-00-0

1

0

0

Hexadecanoic acid, 2-hydroxy-1(hydroxymethyl)ethyl ester

H3C-(CH2)14-COO-CH=(CH2OH)2

V-3

4030.

28801-93-6

1

1

1

Hexadecanoic acid, methyl-

4031.

112-39-0

1

1

1

Hexadecanoic acid, methyl ester

1

1

1

Hexadecanoic acid, (1-methylethyl) ester

4033.

36617-44-4

1

1

1

4034.

78509-52-1

1

1

4035.

2598-99-4

1

4036.

94632-81-2

1

4037.

18299-77-9

4038.

42232-35-9

4039.
4040.
4041.
4042.
4043.
4044.

4022.

Name (per CA Collective Index)

{ethyl palmitate}

Selected structures

Chapter
Table

H3C-(CH2)14-COO-(CH2)19-CH3

V-3

IV.A-3
H3C-(CH2)14-COO-CH3

V-3

Hexadecanoic acid, nonadecyl ester

H3C-(CH2)14-COO-(CH2)18-CH3

V-3

1

Hexadecanoic acid, octacosyl ester

H3C-(CH2)14-COO-(CH2)27-CH3

V-3

1

1

Hexadecanoic acid, octadecyl ester

H3C-(CH2)14-COO-(CH2)17-CH3

V-3

1

1

Hexadecanoic acid, pentacosyl ester

H3C-(CH2)14-COO-(CH2)24-CH3

V-3

1

1

1

Hexadecanoic acid, pentadecyl ester

H3C-(CH2)14-COO-(CH2)14-CH3

V-3

1

1

1

Hexadecanoic acid, tetracosyl ester

H3C-(CH2)14-COO-(CH2)33-CH3

V-3

4536-26-9

1

1

1

Hexadecanoic acid, tetradecyl ester

H3C-(CH2)14-COO-(CH2)13-CH3

V-3

84461-48-3

1

1

1

Hexadecanoic acid, tetratriacontyl ester

H3C-(CH2)14-COO-(CH2)33-CH3

V-3

6027-71-0

1

1

1

Hexadecanoic acid, triacontyl ester

H3C-(CH2)14-COO-(CH2)29-CH3

V-3

42232-34-8

1

1

1

Hexadecanoic acid, tricosyl ester

H3C-(CH2)14-COO-(CH2)22-CH3

V-3

36617-38-6

1

1

1

Hexadecanoic acid, tridecyl ester

H3C-(CH2)14-COO-(CH2)13-CH3

V-3

3233-90-7

0

1

0

Hexadecanoic acid, 10,16-dihydroxy-

4045.

5918-29-6

1

1

1

Hexadecanoic acid, 14-methyl-

H3C-CH2-CH(CH3)-(CH2)12-COOH IV.A-3

4046.

121877-41-6

1

1

1

Hexadecanoic acid, 14-methyl-, docosyl ester

H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)21-CH3
V-3

4047.

121877-33-6

1

1

1

Hexadecanoic acid, 14-methyl-, heneicosyl ester

H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)20-CH3
V-3

4048.

121877-67-6

1

1

1

Hexadecanoic acid, 14-methyl-, heptacosyl ester

H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)26-CH3
V-3

4049.

121877-58-5

1

1

1

Hexadecanoic acid, 14-methyl-, hexacosyl ester

H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)25-CH3
V-3

4050.

2490-49-5

1

1

1

Hexadecanoic acid, 14-methyl-, methyl ester

H3C-CH2-CH(CH3)-(CH2)12-COO-CH3 V-3

4051.

121877-74-5

1

1

1

Hexadecanoic acid, 14-methyl-, octacosyl ester

H3C-CH2-CH(CH3)-(CH2)12-COO-(CH2)27-CH3
V-3

4052.

1603-03-8

1

1

1

Hexadecanoic acid, 15-methyl-

(H3C)2=CH-(CH2)13-COOH

4053.

121877-39-2

1

1

1

Hexadecanoic acid, 15-methyl-, docosyl ester

(H3C)2=CH-(CH2)13-COO-(CH2)21-CH3 V-3

4054.

6929-04-0

0

1

0

Hexadecanoic acid, 15-methyl-, methyl ester

(H3C)2=CH-(CH2)13-COO-CH3

4055.

506-13-8

0

1

0

Hexadecanoic acid, 16-hydroxy-

HOCH2-(CH2)14-COOH

IV.A-3

4056.

27147-71-3

0

1

0

Hexadecanoic acid, 2-methyl-

H3C-(CH2)13-CH(CH3)-COOH

IV.A-3

4057.

42172-35-0

0

1

0

Hexadecanoic acid, 3-methyl-

H3C-(CH2)12-CH(CH3)-CH2-COOH IV.A-3

4032.

V-3

II.A-5, IV.A-3

IV.A-3

151

V-3

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4058.

71607-94-8

1

1

1

Hexadecanoic acid, 3,7,11,15,19,23,27,31,35nonamethyl-2,6,10,14,18,22,26,30,34-hexatria
contanonaenyl ester

V-3

4059.

1118-77-0

0

1

0

Hexadecanoic acid, 3,7,11,15-tetramethyl-, methyl
ester

V-3

4060.

53950-58-6

1

1

1

Hexadecanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester, [R-[R*,R*- (E)]]-

V-3

Name (per CA Collective Index)

4061.

124-29-8

1

1

1

1-Hexadecanol

4062.

2490-43-9

0

1

0

1-Hexadecanol, 14-methyl-

4063.

645-72-7

1

1

1

1-Hexadecanol, 3,7,11,15-tetramethyl{dihydrophytol}

Chapter
Table

Selected structures

H3C-(CH2)14-CH2OH

II.A-5
II.A-5
II.A-5

H3C

CH3
H[CH2-CH(CH 3)-CH 2-CH 2]4-OH

CH3
CH2OH
H3C
CH3

4064.

60054-55-9

0

1

0

1-Hexadecanol, 7,11,15-trimethyl-3-methylene-

4065.

18787-63-8

1

1

1

2-Hexadecanone

H3C-(CH2)13-CO-CH3

III-13

4066.

34083-18-6

1

0

0

2,6,10,14-Hexadecatetraene, 2,6,10,14-tetramethyl-

H-[CH2-C(CH3)=CH-CH2]4-H

I.B-1

4067.

70901-63-2

0

1

0

1,6,10,14-Hexadecatetraene, 7,11,15-trimethyl-3methylene-, (E,E)-

I.B-1

4068.

76540-54-0

0

1

0

1,6,10,14-Hexadecatetraene-3,9-diol, 3,7,11,15tetramethyl-

II.A-5

4069.

76540-55-1

0

1

0

2,6,10,15-Hexadecatetraene-1,14-diol, 2,6,10,14tetramethyl-, [S-(Z,E,E)]-

II.A-5

4070.

25377-56-4

0

1

0

Hexadecatrienoic acid

IV.A-3

4071.

32839-24-0

0

1

0

Hexadecatrienoic acid, (Z,Z,Z)-

IV.A-3

4072.

37822-81-4

0

1

0

Hexadecatrienoic acid, methyl ester

4073.

26952-14-7

0

1

0

Hexadecene

4074.

629-73-2

1

0

0

1-Hexadecene

1

0

0

1-Hexadecene, 2-methyl-

4076.

71278-20-1

1

0

0

1-Hexadecene, 2,6,10-trimethyl-

4077.

504-96-1

1

1

1

1-Hexadecene, 3-methylene-7,11,15-trimethyl{neophytadiene}

4078.

0

1

0

1-Hexadecene, 3,7,11,15-tetramethyl-

4079.

1

0

0

2-Hexadecene, (Z)-

4080.

1

0

0

2-Hexadecene, (E)-

4081.

1

0

0

2-Hexadecene, 2-methyl-

H3C-C(CH3)=CH-(CH2)12-CH3

4082.

1

0

0

2-Hexadecene, 14-methyl-, (Z)-

H3C-CH=CH-(CH2)10-CH(CH3)-CH2-CH3
I.B-1

4083.

1

0

0

2-Hexadecene, 14-methyl-, (E)-

4084.

1

0

0

2-Hexadecene, 15-methyl-, (Z)-

4075.

4085.

II.A-5

V-3
I.B-1
{1-cetene}

H2C=CH-(CH2)13-CH3

I.B-1

H2C=C(CH3)-(CH2)13-CH3

I.B-1
I.B-1

H2C=CH-C(=CH2)-CH2-{(CH2)2-CH(CH3)CH2}3H
I.B-1
I.B-1
H3C-CH=CH-(CH2)12-CH3

I.B-1
I.B-1
I.B-1

I.B-1
H3C-CH=CH-(CH2)11-CH(CH3)2

I.B-1

1

0

0

2-Hexadecene, 15-methyl-, (E)-

4086.

51806-25-8

0

1

0

4-Hexadecene, 3-methylene-7,11,15-trimethyl-

I.B-1

4087.

25447-95-4

1

1

1

Hexadecenoic acid

IV.A-3

4088.

28039-99-8

0

1

0

Hexadecenoic acid, (Z)-

IV.A-3

4089.

1686-10-8

0

1

0

3-Hexadecenoic acid, (E)-

IV.A-3

H3C-CH2-C(=CH2)-CH=CH-CH2-CH(CH3)-CH2{(CH2)2-CH(CH3)-CH2}2-H
I.B-1

152

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4090.

373-49-9

1

1

1

9-Hexadecenoic acid, (Z)-

{palmitoleic acid}

H3C-(CH2)7-CH=CH-(CH2)5-COOH IV.A-3

4091.

10030-73-6
2091-29-4

1

1

1

9-Hexadecenoic acid, (E)-

{palmitelaidic acid}

H3C-(CH2)7-CH=CH-(CH2)5-COOH IV.A-3

4092.

1120-25-8

0

1

0

9-Hexadecenoic acid, methyl ester, (Z)-

4093.

505-32-8

1

1

1

1-Hexadecen-3-ol, 3,7,11,15-tetramethyl{isophytol}

4094.

22104-83-2

0

1

0

2-Hexadecen-1-ol

4095.

102608-53-7

0

1

0

2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-

4096.

150-86-7

1

1

1

2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R[R*,R*-(E)]]{phytol}

Name (per CA Collective Index)

Chapter
Table

Selected structures

H3C-(CH2)7-CH=CH-(CH2)5-COO-CH3 V-3
II.A-5
H3C-(CH2)12-CH=CH-CH2OH

II.A-5
II.A-5

H3C

II.A-5

CH3

CH3

CH2OH

H3C
CH3

4097.

60026-26-8

0

1

0

7-Hexadecen-6-one, 3,7,11,15-tetramethyl-

III-13

4098.

80466-34-8

0

1

0

2,4-Hexadienal

4099.

142-83-6

1

1

1

2,4-Hexadienal, (E,E)-

III-12

4100.

54612-24-7

H3C-(CH=CH)2-CH=O

III-12

1

0

0

Hexadiene, dimethyl-

I.B-1

4101.

1

0

0

Hexadiene, methyl-

I.B-1

4102.

1

0

0

1,3-Hexadiene, 3-ethyl-2,5-dimethyl-

I.B-1

4103.

927-97-9

1

0

0

1,4-Hexadiene, 2,5-dimethyl-

I.B-1

4104.

764-13-6

1

0

0

2,4-Hexadiene, 2,5-dimethyl-

I.B-1

1

0

0

2,4-Hexadiene, 3,4-dimethyl-

4106.

110-44-1

1

1

1

2,4-Hexadienoic acid, (E,E)-

4107.

590-00-1
24624-61-5

0

1

0

2,4-Hexadienoic acid, potassium salt

4108.

90-65-3

1

0

0

2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo-

4109.

10420-90-3

1

0

0

1,3-Hexadien-5-yne

4110.

821-08-9

1

0

0

1,5-Hexadien-3-yne

4111.

66-25-1

1

1

1

Hexanal

4112.

15303-46-5

0

1

0

Hexanal, 2-(1-methylethyl)-5-oxo-

4113.

2363-84-0

1

0

0

Hexanal, 2-oxo-

H3C-(CH2)3-CO-CH=O

III-12, III-13

0

1

0

Hexanal, 4-oxo-

H3C-CH2-CO-(CH2)2-CH=O

III-12, III-13

628-02-4

1

0

0

Hexanamide

H3C-(CH2)4-CO-NH2

4116.

111-26-2

1

1

1

1-Hexanamine

H3C-(CH2)5-NH2

4117.

28056-87-3

1

0

0

1-Hexanamine, 2-ethyl-N,N-dimethyl-

4118.

110-54-3

1

1

1

Hexane

4119.

33240-56-1

1

0

0

Hexane, 1-chloro-5-methyl-

4120.

28777-67-5

1

0

0

Hexane, dimethyl-

I.A-10

1

0

0

Hexane, 2,4-dimethyl-

I.A-10

4105.

4114.
4115.

4121.
4122.

592-13-2

1

0

0

Hexane, 2,5-dimethyl-

4123.

50-70-4

1

1

1

Hexane, hexahydroxy-

I.B-1
{sorbic acid}

{divinylacetylene}
{caproic aldehyde}

H3C-(CH=CH)2-COOH

IV.A-3

H3C-(CH=CH)2-COOK

XX-2
III-13, IV.A-3, X-2

HC≡C-CH=CH-CH=CH2

I.B-1

H2C=CH-C≡C-CH=CH2

I.B-1

H3C-(CH2)4-CH=O

III-12
III-12, III-13

XIII-1
XII-2
XII-2

H3C-(CH2)4-CH3

I.A-10
XVIII.B-3

I.A-10
{sorbitol; glucitol}

HOCH2-(CHOH)4-CH2OH

II.A-5

153

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4124.

CAS No.

S

T

S
T

585-88-6

0

1

0

Name (per CA Collective Index)
Hexane, hexahydroxy-, 4-O-β-D-glucopyranosyl{maltitol; 4-O-β-D-glucopyranosyl-D-glucitol}

Chapter
Table

Selected structures

II.A-5, X-2

OH
HO

OH

HO

O

OH

O

HO
OH

OH

OH

4125.

0

1

0

Hexane, hexahydroxy-, 2,6-di-O-methyl-

II.A-5, X-2

4126.

0

1

0

Hexane, hexahydroxy-, 2,3,6-tri-O-methyl-

II.A-5, X-2

4127.

0

1

0

Hexane, hexahydroxy-, 2,3,4,6-tetra-O-methyl-

II.A-5, X-2

4128.

589-34-4

1

0

0

Hexane, 3-methyl-

4129.

1071-81-4

1

0

0

Hexane, 2,2,5,5-tetramethyl-

4130.

124-04-9

1

0

0

Hexanedioic acid

4131.

542-32-5

0

1

0

Hexanedioic acid, 2-amino-

4132.

123-79-5

1

0

0

Hexanedioic acid, dioctyl ester

4133.

103-23-1

1

0

0

Hexanedioic acid, bis(2-ethylhexyl) ester

4134.

3184-35-8

1

1

1

Hexanedioic acid, 2-oxo-

4135.

77289-00-0

0

1

0

1,5-Hexanediol, 2-(1-methylethyl)-, [S-(R*,R*)]-

4136.

2935-44-6

1

1

1

2,5-Hexanediol

4137.

29044-06-2

0

1

0

2,5-Hexanediol, 2-methyl-

4138.

3848-24-6

1

0

0

2,3-Hexanedione

4139.

110-13-4

1

1

1

2,5-Hexanedione

1

0

0

2,5-Hexanedione, 3-hydroxy-

III-13

4437-50-7

1

0

0

2,5-Hexanedione, 3-methyl-

III-13

4142.

1

0

0

3,4-Hexanedione

4143.

1

0

0

3,4-Hexanedione, 2-methyl-

4140.
4141.

I.A-10

{adipic acid}

(H3C)3≡C-(CH2)2-C≡(CH3)3

I.A-10

HOOC-(CH2)4-COOH

IV.A-3
IV.A-3, XII-2
V-3
V-3
III-13, IV.A-3
II.A-5

H3C-CHOH (CH2)2-CHOH-CH3

II.A-5
II.A-5

H3C-CO-CO-(CH2)3-CH3

III-13

{acetonylacetone}

III-13

H3C-CH2-CO-CO-CH2-CH3

III-13
III-13

4144.

628-73-9

1

0

0

Hexanenitrile

4145.

64350-07-8

1

0

0

Hexanenitrile, 2-hydroxy-

4146.

111-31-9

1

0

0

1-Hexanethiol

4147.

18990-98-2

1

0

0

1,3,6-Hexanetriol

4148.

142-62-1

1

1

1

Hexanoic acid

4149.

60308-81-8

0

1

0

Hexanoic acid, 4,5-dimethyl-

4150.

123-66-0

1

1

1

Hexanoic acid, ethyl ester

1

1

1

Hexanoic acid, 2,6-di-(methylnitrosamino)-

149-57-5

1

1

1

Hexanoic acid, 2-ethyl-

1

0

0

Hexanoic acid, hydroxy-

II.A-5, IV.A-3

6064-63-7

0

1

0

Hexanoic acid, 2-hydroxy-

II.A-5, IV.A-3

4155.

1191-25-9

1

0

0

Hexanoic acid, 6-hydroxy-

II.A-5, IV.A-3

4156.

40309-49-7

0

1

0

Hexanoic acid, 3-hydroxy-5-methyl-

II.A-5, IV.A-3

0

1

0

Hexanoic acid, cis-3-hexenyl ester

4158.

106-70-7

0

1

0

Hexanoic acid, methyl ester

4159.

4536-23-6

1

1

1

Hexanoic acid, 2-methyl- {2-methylhexanoic acid}

IV.A-3

4160.

3780-58-3

0

1

0

Hexanoic acid, 3-methyl-

IV.A-3

4151.
4152.
4153.
4154.

4157.

{capronitrile}

H3C-(CH2)4-CN

XI-1
II.A-5, XI-1

H3C-(CH2)5-SH

XVIII.A-1
II.A-5

{caproic acid}

H3C-(CH2)4-COOH

IV.A-3, XXI-3
IV.A-3

{ethyl caproate}

H3C-(CH2)4-COO-C2H5

V-3

R-(CH2)4-CH(R)-COOH where
R = H3C-N(NO)IV.A-3, XV-8
IV.A-3

V-3
H3C-(CH2)4-COO-CH3

V-3

154

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

1561-11-1

0

1

0

Hexanoic acid, 4-methyl-

4162.

628-46-6

0

1

0

Hexanoic acid, 5-methyl-

4163.

30414-55-2

0

1

0

Hexanoic acid, 5-methyl-3-oxo-, methyl ester

4164.

41654-04-0

0

1

0

Hexanoic acid, 5-methyl-4-oxo-

III-13, IV.A-3

4165.

2543-54-6

0

1

0

Hexanoic acid, 2-(1-methylethyl)-5-oxo-

III-13, IV.A-3

4166.

16825-90-4

1

0

0

Hexanoic acid, 2-(1-methylethyl)-5-oxo-, (S)-

III-13, IV.A-3

4167.

1842-56-4

0

1

0

Hexanoic acid, 2-(1-methylethyl)-5-oxo-, methyl
ester

4168.

1117-74-4

1

1

1

Hexanoic acid, 4-oxo-

4169.

3128-06-1

1

0

0

Hexanoic acid, 5-oxo-

4170.

540-07-8

0

1

0

Hexanoic acid, pentyl ester

4171.

6290-37-5

0

1

0

Hexanoic acid, 2-phenylethyl ester

V-3

4172.

6938-45-0

0

1

0

Hexanoic acid, phenylmethyl ester

V-3

4173.

2051-49-2

0

1

0

Hexanoic anhydride

VII-1

4174.

25917-35-5

1

1

1

Hexanol

4175.

111-27-3

1

1

1

1-Hexanol

4176.

104-76-7

1

1

1

1-Hexanol, 2-ethyl-

4177.

61949-26-6

1

0

0

1-Hexanol, methyl-

4178.

818-49-5

0

1

0

1-Hexanol, 4-methyl-

4179.

627-98-5

0

1

0

1-Hexanol, 5-methyl-

(H3C)2=CH-(CH2)3-CH2OH

4180.

626-93-7

1

1

1

2-Hexanol

H3C-(CH2)3-CHOH-CH3

0

1

0

2-Hexanol, 2-cyclohexanyl-

4161.

4181.

Name (per CA Collective Index)

Chapter
Table

Selected structures

IV.A-3
IV.A-3
III-13, V-3

III-13, V-3
III-13, IV.A-3
III-13, IV.A-3
H3C-(CH2)4-COO-(CH2)4-C H3

V-3

II.A-5
{caproyl alcohol}

H3C-(CH2)4-CH2OH

II.A-5, XXI-3

H3C-(CH2)3-CH(C2H5)-CH2OH

II.A-5
II.A-5
II.A-5
II.A-5
II.A-5
II.A-5

4182.

623-37-0

1

1

1

3-Hexanol

II.A-5

4183.

2180-43-0

1

0

0

3-Hexanol, 1-phenyl-

II.A-5

1

0

0

4-Hexanol, 1-phenyl-

II.A-5

4184.
4185.

14360-50-0

1

0

0

1-Hexanone, 1-(2-furanyl)-

4186.

591-78-6

1

1

1

2-Hexanone

III-13, X-2

4187.

72693-13-1

1

0

0

2-Hexanone, 5,6-dihydroxy-

II.A-5, III-13

4188.

56745-61-0

1

0

0

2-Hexanone, 5-hydroxy-

II.A-5, III-13

4189.

68208-73-1

1

0

0

2-Hexanone, 6-hydroxy-5-methyl-

4190.

589-38-8

1

1

1

3-Hexanone

4191.

71278-21-2

1

1

1

1,3,6,10,14,18,22,26,30,34-Hexatriacontadecaene,
3,7,11,15,19,23,27,31,35-nonamethyl{solanesene}

4192.

630-06-8

1

1

1

Hexatriacontane

4193.

71278-22-3

1

0

0

1,6,10,14,18,22,26,30,34-Hexatriacontanonaene,
7,11,15,19,23,27,31,35-octamethyl-3-methylene-

I.B-1

4194.

66327-99-9

1

0

0

2,6,10,14,18,22,26,30,34-Hexatriacontanonaene,
2,6,10,14,18,22,26,30,34-nonamethyl-, (all-E)-

I.B-1

4195.

60924-87-0

0

1

0

2,6,10,14,18,22,26,30,35-Hexatriacontanonaene1,34-diol, 3,7,11,15,19,23,27,31,35-nonamethyl-,
(all-E)-

II.A-5

{butyl methyl ketone}

H3C-(CH2)3-CO-CH3

III-13

II.A-5, III-13

{ethyl propyl ketone}

III-13
I.B-1

H3C-(CH2)34-CH3

I.A-10

155

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4196.

60924-86-9

0

1

0

2,6,10,14,18,22,26,30,33-Hexatriacontanonaene1,35-diol, 3,7,11,15,19,23,27,31,35-nonamethyl-,
(all-E)-

II.A-5

4197.

101330-76-1

0

1

0

2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, labeled
with 14C, (Z,Z,Z)-

II.A-5

4198.

13190-97-1

1

1

1

2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (all-E){solanesol}

4199.

29144-38-5

1

1

1

2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, acetate,
stereoisomer
{solanesyl acetate}

4200.

2235-12-3

1

0

0

1,3,5-Hexatriene

4201.

1

0

0

1,3,5-Hexatriene, 2-methyl-

I.B-1

4202.

1

0

0

1,3,5-Hexatriene, 3-methyl-

I.B-1

1335-39-3

0

1

0

Hexenal

III-12

4204.

505-57-7

1

1

1

2-Hexenal

4205.

6728-26-3

1

1

1

2-Hexenal, (E)-

4206.

16635-54-4

1

1

1

2-Hexenal, (Z)-

III-12

1

0

0

2-Hexenal, 2,5-dimethyl-

III-12

1

0

0

2-Hexenal, 2-methyl-

1

0

0

2-Hexenal, 5-methyl-

4203.

4207.
4208.

28467-88-1

4209.

Name (per CA Collective Index)

Chapter
Table

Selected structures

H-[CH2-CH(CH3)-CH2-CH2]9-OH

II.A-5

V-3

H2C=CH-CH=CH-CH=CH2

I.B-1

H3C-(CH2)2-CH=CH-CH=O

III-12
III-12

H3C-(CH2)2-CH=C(CH3)-CH=O

III-12
III-12

4210.

21834-92-4

0

1

0

2-Hexenal, 5-methyl-2-phenyl-

4211.

25264-93-1

1

0

0

Hexene

1

0

0

Hexene, diamino

4213.

592-41-6

1

0

0

1-Hexene

H3C-(CH2)3-CH=CH2

I.B-1

4214.

3524-73-0

1

0

0

1-Hexene, 5-methyl-

(H3C)2=CH-(CH2)2-CH=CH2

I.B-1

4215.

4050-45-7

1

0

0

2-Hexene, (E)-

H3C-(CH2)2-CH=CH-CH3

4216.

7688-21-3

1

0

0

2-Hexene, (Z)-

4217.

3404-78-2

1

0

0

2-Hexene, 2,5-dimethyl-

H3C-CH(CH3)-CH2-CH=C(CH3)-CH3 I.B-1

4218.

2738-19-4

1

0

0

2-Hexene, 2-methyl-

H3C-(CH2)2-CH=C(CH3)-CH3

I.B-1

4219.

3404-62-4

1

0

0

2-Hexene, 5-methyl-

H3C-CH(CH3)-CH2-CH=CH-CH3

I.B-1

4220.

592-47-2

1

0

0

3-Hexene

H3C-CH2-CH=CH-CH2-CH3

I.B-1

4221.

13269-52-8

1

1

1

3-Hexene, (E)-

I.B-1

4222.

7642-09-3

1

0

0

3-Hexene, (Z)-

I.B-1

4223.

4436-75-3

0

1

0

3-Hexene, 2,5-dione

4224.

1289-40-3

1

0

0

Hexenoic acid

4225.

1191-04-4

0

1

0

2-Hexenoic acid

4226.

5309-52-4

0

1

0

2-Hexenoic acid, 2-ethyl-

4227.

41653-96-7

0

1

0

2-Hexenoic acid, 5-methyl-

4228.

51424-01-2

0

1

0

2-Hexenoic acid, 5-methyl-, (E)-

4229.

4219-24-3

1

1

1

3-Hexenoic acid

4230.

1775-43-5

0

1

0

3-Hexenoic acid, (Z)-

4231.

2396-78-3

0

1

0

3-Hexenoic acid, methyl ester

4212.

III-12
H-(CH2)n-CH=CH-(CH2)(4-n)-H

I.B-1
XII-2

I.B-1
I.B-1

III-13
IV.A-3
H3C-(CH2)2-CH=CH-COOH

IV.A-3
IV.A-3

(H3C)2=CH-CH2-CH=CH-COOH

{hydrosorbic acid}

IV.A-3
IV.A-3

H3C-CH2-CH=CH-CH2-COOH

IV.A-3
IV.A-3

H3C-CH2-CH=CH-CH2-COO-CH3

156

V-3

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4232.

35194-36-6

1

1

1

4-Hexenoic acid

4233.

1577-20-4

1

1

1

4-Hexenoic acid, (E)-

IV.A-3

4234.

5636-65-7

0

1

0

4-Hexenoic acid, 5-methyl-

IV.A-3

4235.

1577-22-6

0

1

0

5-Hexenoic acid

4236.

928-95-0

0

1

0

2-Hexen-1-ol

4237.

2305-21-7

0

1

0

2-Hexen-1-ol, (E)-

4238.

2497-18-9

0

1

0

2-Hexen-1-ol, acetate, (E)-

4239.

544-12-7

0

1

0

3-Hexen-1-ol

II.A-5

4240.

928-97-2

0

1

0

3-Hexen-1-ol, (E)-

II.A-5

4241.

928-96-1

1

1

1

3-Hexen-1-ol, (Z)-

4242.

Name (per CA Collective Index)

Chapter
Table

Selected structures
H3C-CH=CH-(CH2)2-COOH

IV.A-3

IV.A-3
H3C-(CH2)2-CH=CH-CH2OH

II.A-5
II.A-5
V-3

{leaf alcohol}

II.A-5

14

1

1

1

3-Hexen-1-ol, (Z)- , labeled with C
{leaf alcohol-14C}

XXV-29

4243.

1708-82-3

0

1

0

3-Hexen-1-ol, acetate

V-3

4244.

3681-71-8

0

1

0

3-Hexen-1-ol, acetate, (Z)-

V-3

4245.

25152-85-6

0

1

0

3-Hexen-1-ol, benzoate, (Z)-

V-3

4246.

2315-09-5

0

1

0

3-Hexen-1-ol, formate

V-3

4247.

33467-73-1

0

1

0

3-Hexen-1-ol, formate, (Z)-

4248.

763-93-9

1

0

0

3-Hexen-2-one

4249.

5166-53-0

1

1

1

3-Hexen-2-one, 5-methyl-

III-13

4250.

1821-29-0

0

1

0

3-Hexen-2-one, 5-methyl-, (E)-

III-13

4251.

109-49-9

1

1

1

5-Hexen-2-one

4252.

55615-04-8

0

1

0

5-Hexen-2-one, 4,5-dimethyl-

0

1

0

4-Hexen-3-one, 4,5-dimethyl-

4254.

121197-12-4

1

0

0

5-Hexen-3-one, 4,5-dihydroxy-

4255.

33124-69-5

0

1

0

threo-2,3-Hexodiulosonic acid, γ-lactone

4256.

490-83-5

0

1

0

L-threo-2,3-Hexodiulosonic acid, γ-lactone

4257.

61989-59-1

1

0

0

Hexonic acid, 2,3-dideoxy-, γ-lactone, monoacetate

4258.

61892-51-1

1

0

0

Hexonic acid, 3,6-dideoxy-, γ-lactone

VI-3

4259.

61653-41-6

0

1

0

D-lyxo-Hexonic acid, 2-deoxy-, γ-lactone

VI-3

4260.

45009-62-9

0

1

0

Hexoses

4261.

62446-36-0

0

1

0

Hexouronic acid

4262.

26856-30-4

1

0

0

Hexyne

H-(CH2)n-C≡C-(CH2)(4-n)-H

I.B-1

4263.

693-02-7

1

0

0

1-Hexyne

HC≡C-(CH2)3-CH3

I.B-1

4264.

2203-80-7

1

0

0

1-Hexyne, 5-methyl-

HC≡C-(CH2)2-CH(CH3)2

I.B-1

4265.

764-35-2

1

0

0

2-Hexyne

H3C-C≡C-(CH2)2-CH3

I.B-1

4266.

53566-37-3

1

0

0

2-Hexyne, 5-methyl-

H3C-C≡C-CH2-CH(CH3)2

I.B-1

4267.

928-49-4

1

0

0

3-Hexyne

H3C-CH2-C≡C-CH2-CH3

I.B-1

4268.

7006-35-1

0

1

0

Histidine

IV.A-3, IV.B-7, XII-2, XVII.A-4

4269.

71-00-1

0

1

0

L-Histidine

IV.A-3, IV.B-7, XII-2, XVII.A-4

4253.

V-3
III-13

H2C=CH-(CH2)2-CO-CH3

III-13
III-13
III-13
II.A-5, III-13
VI-3
VI-3
V-3, VI-3

II.A-5, VIII-3

NH2
N
HN

COOH

157

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

332-80-9

1

1

1

1

1

4272.

62504-27-2

0

1

4273.

7440-60-0

1

4274.

8064-26-4

0

4275.

454-29-5

4276.

4270.

Name (per CA Collective Index)

Chapter
Table

Selected structures

L-Histidine, 1-methyl-

IV.A-3, IV.B-7, XII-2, XVII.A-4

1

L-Histidine, 3-methyl-

IV.A-3, IV.B-7, XII-2, XVII.A-4

0

L-Histidine, N-(1-carboxyethyl)-, (R)-

IV.A-3, IV.B-7, XII-2, XVII.A-4

1

1

Holmium

1

0

Holocellulose

0

1

0

DL-Homocysteine

HS-(CH2)2-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2, XVIII.A-1

498-19-1
672-15-1

1

1

1

Homoserine

HO-(CH2)2-CH(NH2)-COOH
II.A-5, IV.A-3, IV.B-7, XII-2, XVIII.A-1

4277.

1415-93-6

0

1

0

Humic acids

IV.A-3

4278.

9024-25-3

0

1

0

Hydratase, aconitate

XXII-2

4279.

9032-88-6

0

1

0

Hydratase, fumarate

XXII-2

4280.

9014-08-8

0

1

0

Hydratase, phosphopyruvate

XXII-2

4281.

302-01-2

1

1

1

Hydrazine

4282.

57-14-7

1

1

1

Hydrazine, 1,1-dimethyl-

H2N-N(CH3)2

XII-2

4283.

624-80-6

1

0

0

Hydrazine, ethyl-

H2N-NH-CH2-CH3

XII-2

4284.

60-34-4

1

0

0

Hydrazine, methyl-

4285.

74-90-8

1

1

1

Hydrocyanic acid

4286.

1333-74-0

1

0

0

Hydrogen

H2

XIX-5

4287.

7722-84-1

1

0

0

Hydrogen peroxide

H2O2

XXVII

1

0

0

Hydrogen peroxyl radical

OOH

XXVII-1

4289.

7783-06-4

1

0

0

Hydrogen sulfide

H2S

XVIII.A-1

4290.

9027-05-8

0

1

0

Hydrogenase

XXII-2

4291.

9027-41-2

0

1

0

Hydrolase

XXII-2

0

1

0

Hydropectin

4271.

4288.

4292.
4293.

Ho

XX-5
VIII-3

{2-amino-4-hydroxybutanoic acid}

H2N-NH2

XII-2

H2N-NH-CH3
{hydrogen cyanide}

XII-2

HCN

XI-2, XXI-3

VIII-3

1

0

0

Hydroquinone/semiquinone/quinone free radical

XXVII-1

4294.

3352-57-6

1

0

0

Hydroxide free radical

XXVII-1

4295.

120598-69-8

0

1

0

Hydroxycinnamoyltransferase, putrescine

XXII-2

0

1

0

Hydroxycinnamoyltransferase, quinate

XXII-2

4296.
4297.

73904-44-6

0

1

0

Hydroxycinnamoyltransferase, shikimate

XXII-2

4298.

128909-19-3

0

1

0

Hydroxycinnamoyltransferase, tyramine

XXII-2

4299.

60321-02-0

0

1

0

Hydroxycinnamyl-CoA:quinate hydroxycinnamyl
transferase, quinate

XXII-2

4300.

7803-49-8

0

1

0

Hydroxylamine

0

1

0

Hydroxylase, cinnamete

XXII-2
XXII-2

4301.
4302.

0

1

0

Hydroxylase, glycine

4303.

9029-83-8

0

1

0

Hydroxymethyltransferase, serine

4304.

105827-78-9

0

1

0

1H-Imidazol-2-amine, ((6-chloro-3-pyridinyl)methyl)4,5-dihydro-N-nitro{Admire®}

HO-NH2

XII-2

XXII-2
NH-NO2
N

XVII.B-4, XXI-3

N
N

Cl

158

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4305.

CAS No.

S

T

S
T

288-32-4

1

1

1

Name (per CA Collective Index)
1H-Imidazole

{1,3-diazole}

1

2

N

4

2466-76-4

XVII.A-4

H
N
5

4306.

Chapter
Table

Selected structures

3

0

1

0

1H-Imidazole, 1-acetyl-

4307.

1

0

0

1H-Imidazole, C3-alkyl-

{3 isomers detected}

XVII.A-4
XVII.A-4

4308.

1

0

0

1H-Imidazole, C4-alkyl-

{5 isomers detected}

XVII.A-4

4309.

1

0

0

1H-Imidazole, C5-alkyl-

{4 isomers detected}

XVII.A-4

4310.

1

0

0

1H-Imidazole, butyl-

XVII.A-4

4311.

1

0

0

1H-Imidazole, 2-butyl-

XVII.A-4

4312.

0

1

0

1H-Imidazole, 4,5-dihydro-2-ethyl-4-methyl-

XVII.A-4

4313.

1739-84-0

1

0

0

1H-Imidazole, 1,2-dimethyl-

XVII.A-4

4314.

6338-45-0

1

0

0

1H-Imidazole, 1,4-dimethyl-

XVII.A-4

4315.

10447-93-5

1

0

0

1H-Imidazole, 1,5-dimethyl-

XVII.A-4

4316.

930-62-1

1

0

0

1H-Imidazole, 2,4-dimethyl-

XVII.A-4

4317.

2302-39-8

1

0

0

1H-Imidazole, 4,5-dimethyl-

XVII.A-4

4318.

37455-73-5

1

0

0

1H-Imidazole, 1,4-dimethyl-2-(1-methylethyl)-

XVII.A-4

4319.

40688-28-6

1

0

0

1H-Imidazole, 2,4-dimethyl-5-(1-methylethyl)-

XVII.A-4

1

0

0

1H-Imidazole, 2,5-dimethyl-4-(1-methylethyl)-

XVII.A-4

4321.

1131-16-4

1

0

0

1H-Imidazole, 1,4-dimethyl-5-phenyl-

4322.

51-45-6

0

1

0

1H-Imidazole-4-ethanamine

4320.

XVII.A-4
XII-2,
XVII.A-4

H
N
1

2
3

5

N
CH2CH2-NH2

4323.

1

0

0

1H-Imidazole, ethyl-

XVII.A-4

7098-07-9

1

0

0

1H-Imidazole, 1-ethyl-

XVII.A-4

4325.

1072-62-4

1

0

0

1H-Imidazole, 2-ethyl-

XVII.A-4

4326.

19141-85-6

1

0

0

1H-Imidazole, 4-ethyl-

XVII.A-4

4327.

21202-52-8

1

0

0

1H-Imidazole, 1-ethyl-2-methyl-

XVII.A-4

4328.

931-36-2

1

0

0

1H-Imidazole, 2-ethyl-4-methyl-

XVII.A-4

4329.

29239-89-2

1

0

0

1H-Imidazole, 4-ethyl-2-methyl-

XVII.A-4

4330.

37455-59-7

1

0

0

1H-Imidazole, 4-ethyl-2-(1-methylethyl)-

XVII.A-4

4331.

37455-56-4

1

0

0

1H-Imidazole, 4-ethyl-2-propyl-

XVII.A-4

1

0

0

1H-Imidazole, methyl-

XVII.A-4

4333.

616-47-7

1

0

0

1H-Imidazole, 1-methyl-

XVII.A-4

4334.

693-98-1

1

0

0

1H-Imidazole, 2-methyl-

XVII.A-4

4335.

822-36-6

1

0

0

1H-Imidazole, 4-methyl-

XVII.A-4

4336.

36947-68-9

1

0

0

1H-Imidazole, 2-(1-methylethyl)-

XVII.A-4

4337.

58650-48-9

1

0

0

1H-Imidazole, 4-(1-methylethyl)-

XVII.A-4

4338.

22509-02-0

1

0

0

1H-Imidazole, 1-methyl-2-(1-methylethyl)-

XVII.A-4

4339.

37455-52-0

1

0

0

1H-Imidazole, 2-methyl-4-(1-methylethyl)-

XVII.A-4

4340.

37455-58-6

1

0

0

1H-Imidazole, 4-methyl-2-(1-methylethyl)-

XVII.A-4

4341.

61893-07-0

1

0

0

1H-Imidazole, 4-methyl-2-(1-methylpropyl)-

XVII.A-4

4324.

4332.

159

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4342.

61893-06-9

1

0

0

1H-Imidazole, 2-(1-methylpropyl)-

4343.

61893-08-1

1

0

0

1H-Imidazole, 4-(2-methylpropyl)-

XVII.A-4

1

0

0

1H-Imidazole, pentyl-

XVII.A-4

4344.

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVII.A-4

4345.

91491-09-7

1

0

0

1H-Imidazole, propyl-

XVII.A-4

4346.

1842-63-3

1

0

0

1H-Imidazole, 1,2,4-trimethyl-

XVII.A-4

4347.

822-90-2

1

0

0

1H-Imidazole, 2,4,5-trimethyl-

XVII.A-4

4348.

20185-22-2

1

0

0

1H-Imidazole, 1,4,5-trimethyl-

XVII.A-4

4349.

36734-19-7

0

1

0

1-Imidazolidinecarboxamide, 3-(3,5-dichlorophenyl)2,4-dioxo{Iprodione®}

XIII-1, XIV-1, XVII.A-4, XVIII.B-3, XXI-3
Cl

O

N
N

N

4350.

461-72-3

1

0

0

2,4-Imidazolidinedione

{hydantoin}

Cl

O

O

XIV-1, XVII.A-4

H
N

O
NH

O

4351.

61893-10-5

1

0

0

2,4-Imidazolidinedione, 1-(1-methylethyl)-

XIV-1, XVII.A-4

4352.

17374-27-5

1

0

0

2,4-Imidazolidinedione, 1,5-dimethyl-

XIV-1, XVII.A-4

4353.

61893-09-2

1

0

0

2,4-Imidazolidinedione, 1-ethyl-

XIV-1, XVII.A-4

4354.

16935-34-5

1

0

0

2,4-Imidazolidinedione, 5-(1-methylethyl)-

XIV-1, XVII.A-4

4355.

15414-82-1

1

0

0

2,4-Imidazolidinedione, 5-ethyl-

XIV-1, XVII.A-4

4356.

616-03-5

1

1

1

2,4-Imidazolidinedione, 5-methyl-

XIV-1, XVII.A-4

4357.

96-45-7

1

0

0

2-Imidazolidinethione

4358.

138261-41-3

1

1

1

Imidazolidinimine, 1-((6-chloro-3-pyridinyl)methyl)N-nitro{Imidacloprid®}

4359.

61892-75-9

1

0

0

4H-Imidazol-4-one, 1,5-dihydro-1-methyl-

4360.

60-27-5

0

1

0

4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl{creatinine}

{ethylenethiourea}

XVII.A-4
XVII.A-4,
XVIII.B-3,
XXI-3
XVII.A-4
XII-2, XVII.A-4

O
5
4

1

3N

N

CH3

2

NH2

4361.

274-76-0

1

0

0

Imidazo[1,2-a]pyridine

XVII.E-6

1

N

N
2

4362.

3

1

0

0

Imidazo[1,2-a]pyridine, C2-alkyl-

XVII.E-6

4363.

875-80-9

1

0

0

Imidazo[1,2-a]pyridine, 2,3-dimethyl-

XVII.E-6

4364.

105650-23-5

1

0

0

1H-Imidazo[4,5-b]pyridin-2-amine, 1-methyl-6phenyl{PhIP}

N
4
5
6

XVII.F-8

N
3
1
N

2

NH2

CH3

4365.

1

0

0

1H-Imidazo[4,5-b]pyridine, methyl-

XVII.E-6

160

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4366.

CAS No.

S

T

S
T

68175-07-5

1

0

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

1H-Imidazo[4,5-b]pyridine, 2-methyl-

N

4
7

XVII.E-6

3

N
5
6

2

1

N
H

4367.

27582-20-3

1

0

0

1H-Imidazo[4,5-b]pyridine, 7-methyl-

XVII.E-6

4368.

120293-52-9

0

1

0

1H-Imidazo[4,5-c]pyridine-4-propanoic acid, 4,6dicarboxy-4,5,6,7-tetrahydro-, (4R-cis)-

IV.A-3

4369.

77094-11-2

1

0

0

3H-Imidazo[4,5-f]quinolin-2-amine, 3,4-dimethyl{MeIQ}

2

1

3N

N

4370.

76180-96-6

1

0

0

XVII.F-8

NH2
N

CH3

CH3

3H-Imidazo[4,5-f]quinolin-2-amine, 3-methyl{IQ}

XVII.F-8

NH2
N
1

2
3N

CH3

4

N

4371.

271-44-3

1

0

0

1H-Indazole

XVII.E-6

H
N
1
2

N
3

4372.

34879-87-3

0

1

0

1H-Indazole, 1,6-dimethyl-

4373.

95-13-6

1

0

0

1H-Indene

XVII.E-6
7

I.E-6

1

6
2
5
4

4374.

71278-05-2

1

0

0

1H-Indene, diethyl-

4375.

496-11-7

1

0

0

1H-Indene, 2,3-dihydro-

3

I.E-6
{indane}

7

I.E-6

1

6
2
5
4

3

4376.

53563-67-0

1

0

0

1H-Indene, 2,3-dihydrodimethyl{4 isomers detected}

I.E-6

4377.

17057-82-8

1

0

0

1H-Indene, 2,3-dihydro-1,2-dimethyl-

I.E-6

4378.

71278-02-9

1

0

0

1H-Indene, 2,3-dihydroethyl-

I.E-6

4379.

27133-93-3

1

0

0

1H-Indene, 2,3-dihydromethyl{4 isomers detected}

I.E-6

4380.

767-58-8

1

0

0

1H-Indene, 2,3-dihydro-1-methyl-

I.E-6

4381.

824-63-5

1

0

0

1H-Indene, 2,3-dihydro-2-methyl-

I.E-6

4382.

824-22-6

1

0

0

1H-Indene, 2,3-dihydro-4-methyl-

I.E-6

4383.

874-35-1

1

0

0

1H-Indene, 2,3-dihydro-5-methyl-

I.E-6

4384.

16204-57-2

0

1

0

1H-Indene, 2,3-dihydro 1,1,4,5-tetramethyl-

I.E-6

4385.

942-43-8

0

1

0

1H-Indene, 2,3-dihydro 1,1,5,6-tetramethyl-

I.E-6

4386.

36541-18-1

1

0

0

1H-Indene, 2,3-dihydrotrimethyl-

I.E-6

4387.

29348-63-8

1

0

0

1H-Indene, dimethyl-

I.E-6

161

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

71278-06-3

1

0

0

1H-Indene, dimethylethyl-

I.E-6

4389.

1

0

0

1H-Indene, 5,6-dimethyl-2-phenyl-

I.E-6

4390.

1

0

0

1H-Indene, 2-(3’,4’-dimethylphenyl)-

I.E-6

1

0

0

1H-Indene, ethyl-

I.E-6

1

0

0

1H-Indene, ethylmethyl-

I.E-6

1

0

0

1H-Indene, ethylpentamethyl-

I.E-6

1

0

0

1H-Indene, heptamethyl-

I.E-6

4388.

4391.

58924-35-9

4392.
4393.

71278-07-4

4394.

Name (per CA Collective Index)

Chapter
Table

Selected structures

4395.

71278-08-5

1

0

0

1H-Indene, hexamethyl-

I.E-6

4396.

29036-25-7

1

0

0

1H-Indene, methyl{at least 3 isomers are present in MSS}

I.E-6

4397.

767-59-9

1

0

0

1H-Indene, 1-methyl-

I.E-6

4398.

2177-47-1

1

0

0

1H-Indene, 2-methyl-

I.E-6

4399.

767-60-2

1

0

0

1H-Indene, 3-methyl-

I.E-6

4400.

2471-84-3

1

0

0

1H-Indene, 1-methylene-

I.E-6

4401.

6596-86-7

1

0

0

2H-Indene, 2-methylene-

4402.

1

0

0

1H-Indene, 4-methyl-2-(2’-methylphenyl)-

I.E-6

4403.

1

0

0

1H-Indene, 5-methyl-2-(4-methylphenyl)-

I.E-6

4404.

1

0

0

1H-Indene, 6-methyl-2-(4-methylphenyl)-

I.E-6

4405.

1

0

0

1H-Indene, 7-methyl-2-(2’-methylphenyl)-

I.E-6

4406.

{benzofulvene}

I.E-6

1

0

0

1H-Indene, 7-(4’-methylphenyl)-

I.E-6

4407.

71278-09-6

1

0

0

1H-Indene, pentamethyl-

I.E-6

4408.

38638-41-4

1

0

0

1H-Indene, phenyl-

I.E-6

1

0

0

1H-Indene, 2-phenyl-

I.E-6

4409.
4410.

1

0

0

1H-Indene, phenyltrimethyl-

I.E-6

4411.

27135-78-0

1

0

0

1H-Indene, tetramethyl{at least 4 isomers present in MSS}

I.E-6

4412.

60826-61-1

1

0

0

1H-Indene, trimethyl{at least 3 isomers present in MSS}

I.E-6

4413.

37414-44-1

1

0

0

1H-Indene-2-carboxaldehyde, 2,3-dihydro-

III-12

4414.

30084-91-4

1

0

0

1H-Indene-5-carboxaldehyde, 2,3-dihydro-

III-12

4415.

606-23-5

1

0

0

1H-Indene-1,3(2H)-dione

4416.

668-30-4

1

0

0

Indeno[1,2,3,4-defg]chrysene

III-13
I.E-6

{also known as indeno[3,2,1,7-defg]chrysene;
dibenzo[b,mno]fluoranthene; naphtho[1,2,3,4ghi]fluoranthene}
4417.

71277-94-6

1

0

0

I.E-6

Indeno[1,2,3,4-defg]chrysene, methyl{indeno[3,2,1,7-defg]chrysene, methyl-;
dibenzo[b,mno]fluoranthene, methyl-;
naphtho[1,2,3,4-ghi]fluoranthene, methyl-}

162

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4418.

193-43-1

1

0

0

Indeno[1,2,3-cd]fluoranthene

4419.

41699-07-4

1

0

0

Indeno[1,2,3-cd]fluoranthene, methyl-

4420.

206-56-4

1

0

0

Indeno[1,2,3-ij]isoquinoline

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.E-6

I.E-6
XVII.E-6

N

{1-azafluoranthene}

4421.

1

0

0

Indeno[1,2,3-ij]isoquinoline, dimethyl-

XVII.E-6

4422.

1

0

0

Indeno[1,2,3-ij]isoquinoline, methyl-

XVII.E-6

1

0

0

1H-Indenol [1H-Inden-4-ol]

4423.

56631-57-3

IX.A-22

OH
3

5

2

6
7

1

4424.

72692-86-5

1

0

0

1H-Indenol, 2,3-dihydromethyl[1H-Inden-4-ol, 2,3-dihydromethyl-]

IX.A-22

4425.

73850-11-0

1

0

0

1H-Indenol, dimethyl[1H-Inden-4-ol, dimethyl-

IX.A-22

4426.

73850-20-1

1

0

0

1H-Indenol, ethylmethyl[1H-Inden-4-ol, ethylmethyl-]

IX.A-22

1

0

0

1H-Indenol, methyl[1H-Inden-4-ol, methyl-]

IX.A-22

4427.
4428.

73850-09-6

1

0

0

1H-Indenol, tetramethyl[1H-Inden-4-ol, tetramethyl-]

IX.A-22

4429.

73850-10-9

1

0

0

1H-Indenol, trimethyl[1H-Inden-4-ol, trimethyl-]

IX.A-22

4430.

1641-41-4

1

0

0

1H-Indenol, 2,3-dihydro[1H-Inden-4-ol, 2,3-dihydro-]

IX.A-22

4431.

1470-94-6

1

0

0

1H-Inden-5-ol, 2,3-dihydro-

IX.A-22

4432.

30286-23-8

1

0

0

Indenone, dihydro-

III-13

4433.

72692-87-6

1

0

0

Indenone, 1,3(or 2,3)-dihydrodimethyl-

III-13

4434.

480-90-0

1

0

0

1H-Inden-1-one

4435.

83-33-0

1

0

0

1H-Inden-1-one, 2,3-dihydro-

III-13
III-13

4

{1-indanone}

5

3

6

1

2

7

O

4436.

71278-03-0

1

0

0

1H-Inden-1-one, 2,3-dihydrodimethyl{6 isomers detected}

III-13

4437.

66309-83-9

1

0

0

1H-Inden-1-one, 2,3-dihydro-2,6-dimethyl-

III-13

4438.

17714-57-7

1

0

0

1H-Inden-1-one, 2,3-dihydro-3,5-dimethyl-

III-13

4439.

5037-60-5

1

0

0

1H-Inden-1-one, 2,3-dihydro-4,7-dimethyl-

III-13

4440.

71278-04-1

1

0

0

1H-Inden-1-one, 2,3-dihydro-ethyl-

III-13

4441.

57878-30-5

0

1

0

1H-Inden-1-one, 2,3-dihydro-5-hydroxy-3-methyl-

III-13

163

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4442.

72692-69-4

1

0

0

1H-Inden-1-one, 2,3-dihydro(methoxymethyl)-

III-13

4443.

65436-86-4

1

0

0

1H-Inden-1-one, 2,3-dihydromethyl{4 isomers detected}

III-13

4444.

17496-14-9

1

0

0

1H-Inden-1-one, 2,3-dihydro-2-methyl-

III-13

4445.

6072-57-7

1

0

0

1H-Inden-1-one, 2,3-dihydro-3-methyl-

III-13

4446.

24644-78-8

1

0

0

1H-Inden-1-one, 2,3-dihydro-4-methyl-

III-13

4447.

4593-38-8

1

0

0

1H-Inden-1-one, 2,3-dihydro-5-methyl-

III-13

4448.

24623-20-9

1

0

0

1H-Inden-1-one, 2,3-dihydro-6-methyl-

III-13

4449.

66288-51-5

1

0

0

1H-Inden-1-one, 2,3-dihydrotrimethyl{3 isomers detected}

III-13

4450.

54789-23-0

1

1

1

1H-Inden-1-one, 2,3-dihydro-3,3,5,7-tetramethyl-

III-13

4451.

35322-84-0

1

0

0

1H-Inden-1-one, 2,3-dihydro-3,4,7-trimethyl-

III-13

4452.

22303-81-7

1

0

0

1H-Inden-1-one, 3-methyl-

III-13

4453.

615-13-4

1

0

0

2H-Inden-2-one, 1,3-dihydro-

III-13

1

0

0

2H-Inden-2-one, dimethyl-

III-13

1

0

0

2H-Inden-2-one, methyl-

0

1

0

2H-Inden-2-one, 1,4,5,6,7,7a-hexahydro-1-hydroxy1,4,4,7a-tetramethyl-

4454.
4455.
4456.

39815-71-9

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13
II.A-5, III-13

CH3

H3C
4

3

5
6

O

2
1

7

OH
H3C

CH3

4457.

220-97-3

1

0

0

11H-Indeno[2,1-a]phenanthrene
{11H-naphtho[2,1-a]fluorene}

I.E-6

4458.

193-39-5

1

0

0

Indeno[1,2,3-cd]pyrene

{o-phenylenepyrene}

I.E-6

4459.

64158-99-2

1

0

0

Indeno[1,2,3-cd]pyrene, dimethyl{at least 2 isomers present in MSS}

I.E-6

4460.

64158-98-1

1

0

0

Indeno[1,2,3-cd]pyrene, methyl{at least 2 isomers present in MSS}

I.E-6

1

0

0

Indeno[1,2,3-cd]pyrene, trimethyl{at least 2 isomers present in MSS}

I.E-6

1

0

0

5H-Indeno[1,2-b]pyridine

4461.
4462.

244-99-5

{4-azafluorene}

XVII.E-6

5
4
3

N

2

1

4463.

1

0

0

5H-Indeno[1,2-b]pyridine, dimethyl-

XVII.E-6

4464.

1

0

0

5H-Indeno[1,2-b]pyridine, methyl-

XVII.E-6

4465.

7440-74-6

1

1

1

Indium

4466.

120-72-9

1

1

1

1H-Indole

In
{2,3-benzopyrrole}

XX-5
7

6

XVII.E-6

H
N
2

5
4

3

164

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
4467.

S

T

S
T

1

0

0

1H-Indole, alkyl-

XVII.E-6

Name (per CA Collective Index)

Chapter
Table

Selected structures

4468.

5192-03-0

1

0

0

1H-Indole, 5-amino-

XVII.E-6

4469.

55191-12-3

1

0

0

1H-Indole, 1,3-dibutyl-

XVII.E-6

4470.

496-15-1

0

1

0

1H-Indole, 2,3-dihydro-

4471.

6872-06-6

0

1

0

1H-Indole, 2,3-dihydro-2-methyl-

XVII.E-6

4472.

78210-52-3

1

0

0

1H-Indole, 2,3-dihydro-3-(3-pyridinylmethyl)-

XVII.E-6

4473.

29930-57-2

1

0

0

1H-Indole, dimethyl-

XVII.E-6

4474.

875-79-6

1

0

0

1H-Indole, 1,2-dimethyl-

XVII.E-6

4475.

875-30-9

1

0

0

1H-Indole, 1,3-dimethyl-

XVII.E-6

4476.

27816-52-0

1

0

0

1H-Indole, 1,4-dimethyl-

XVII.E-6

4477.

27816-53-1

1

0

0

1H-Indole, 1,5-dimethyl-

XVII.E-6

4478.

5621-15-8

1

0

0

1H-Indole, 1,6-dimethyl-

XVII.E-6

4479.

5621-16-9

1

0

0

1H-Indole, 1,7-dimethyl-

XVII.E-6

4480.

91-55-4

1

0

0

1H-Indole, 2,3-dimethyl-

XVII.E-6

4481.

1196-79-8

1

0

0

1H-Indole, 2,5-dimethyl-

XVII.E-6

4482.

5621-14-7

1

0

0

1H-Indole, 3,7-dimethyl-

XVII.E-6

4483.

64844-47-9

1

0

0

1H-Indole, dimethylethyl-

XVII.E-6

4484.

64844-49-1

1

0

0

1H-Indole, dimethylpropyl-

XVII.E-6

4485.

97542-81-9

1

0

0

1H-Indole, ethyl-

XVII.E-6

4486.

10604-59-8

1

0

0

1H-Indole, 1-ethyl-

XVII.E-6

4487.

3484-18-2

1

0

0

1H-Indole, 2-ethyl-

XVII.E-6

4488.

1484-19-1

1

0

0

1H-Indole, 3-ethyl-

XVII.E-6

4489.

68742-28-9

1

0

0

1H-Indole, 5-ethyl-

XVII.E-6

4490.

64844-45-7

1

0

0

1H-Indole, ethylmethyl-

XVII.E-6

4491.

64844-50-4

1

0

0

1H-Indole, ethylpropyl-

XVII.E-6

4492.

27323-28-0

1

1

1

1H-Indole, methyl-

XVII.E-6

4493.

603-76-9

1

0

0

1H-Indole, 1-methyl-

XVII.E-6

4494.

95-20-5

1

1

1

1H-Indole, 2-methyl-

4495.

83-34-1

1

1

1

1H-Indole, 3-methyl-

4496.

16096-32-5

1

0

0

1H-Indole, 4-methyl-

XVII.E-6

4497.

614-96-0

1

0

0

1H-Indole, 5-methyl-

XVII.E-6

4498.

3420-02-8

1

0

0

1H-Indole, 6-methyl-

XVII.E-6

4499.

933-67-5

1

0

0

1H-Indole, 7-methyl-

XVII.E-6

1

0

0

1H-Indole, (1-methylethyl)-

XVII.E-6

4500.
4501.

{indoline}

XVII.E-6

XVII.E-6
{skatole}

XVII.E-6

1

0

0

1H-Indole, methylphenyl-

XVII.E-6

64844-46-8

1

0

0

1H-Indole, methylpropyl-

XVII.E-6

4503.

948-65-2

1

1

1

1H-Indole, 2-phenyl-

XVII.E-6

4504.

1504-16-1

1

0

0

1H-Indole, 3-phenyl-

XVII.E-6

4505.

64844-44-6

1

0

0

1H-Indole, propyl-

XVII.E-6

4506.

1859-92-3

1

0

0

1H-Indole, 3-propyl-

XVII.E-6

4507.

64844-48-0

1

0

0

1H-Indole, tetramethyl-

XVII.E-6

4502.

165

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

30642-36-5

1

0

0

1H-Indole, trimethyl-

XVII.E-6

4509.

1971-46-6

1

0

0

1H-Indole, 1,2,3-trimethyl-

XVII.E-6

4510.

21296-92-4

1

0

0

1H-Indole, 2,3,5-trimethyl-

XVII.E-6

4511.

54340-99-7

1

0

0

1H-Indole, 5,6,7-trimethyl-

XVII.E-6

4512.

31212-21-2

0

1

0

1H-Indoleacetamide

XIII-1

4513.

32536-43-9

0

1

0

1H-Indoleacetic acid

IV.A-3

0

1

0

1H-Indole-2-acetonitrile, 1-methyl-

4508.

4514.

Name (per CA Collective Index)

Chapter
Table

Selected structures

XI-2

4515.

87-51-4

0

1

0

1H-Indole-3-acetic acid

4516.

1912-33-0

0

1

0

1H-Indole-3-acetic acid, methyl ester

V-3

4517.

771-51-7

0

1

0

1H-Indole-3-acetonitrile

XI-2

4518.

133-32-4

0

1

0

1H-Indole-3-butanoic acid

0

1

0

1H-Indole-3-butanoic acid, methyl ester

4519.
4520.

487-89-8

0

1

0

1H-Indole-3-carboxaldehyde

4521.

771-50-6

0

1

0

1H-Indole-3-carboxylic acid

4522.

942-24-5

0

1

0

1H-Indole-3-carboxylic acid, methyl ester

IV.A-3, XXI-3

IV.A-3, XXI-3
V-3
III-12
IV.A-3
7

V-3

H
N

6

2
5
4

COO-CH3

4523.

61-54-1

0

1

0

1H-Indole-3-ethanamine

XII-2

4524.

526-55-6

0

1

0

1H-Indole-3-ethanol

II.A-5

4525.

830-96-6

0

1

0

1H-Indole-3-propanoic acid

IV.A-3

4526.

5548-09-4

0

1

0

1H-Indole-3-propanoic acid, methyl ester

4527.

35656-49-6

0

1

0

1H-Indolepropanoic acid, α-oxo-

III-13, IV.A-3

4528.

392-12-1

0

1

0

1H-Indole-3-propanoic acid, α-oxo-

III-13, IV.A-3

4529.

1761-10-0

0

1

0

Indolizine, 3-methyl-

XVII.E-6

4530.

1761-11-1

1

0

0

Indolizine, 6-methyl-

XVII.E-6

V-3

N

4531.

54906-44-4

1

1

1

8(5H)-Indolizinone, 5,6,7,8-tetrahydro{5-oxocyclohexa[a]pyrrole}

III-13

O

N

4532.

55041-88-8

0

1

0

8(5H)-Indolizinone, 6,7-dihydro-2-methyl-

III-13

4533.

50-67-9

0

1

0

1H-Indol-5-ol, 3-(2-aminoethyl)-

XII-2

4534.

59-48-3

1

0

0

2H-Indol-2-one, 1,3-dihydro{phthalimidine; oxindole}

XVII.C-1
O
N
H

4535.

15379-45-0

1

0

0

2H-Indol-2-one, 1,3-dihydro-3-ethyl-

XVII.C-1

1

0

0

2H-Indol-2-one, 1,3-dihydro-3-methyl-

XVII.C-1

4537.

20200-86-6

0

1

0

2H-Indol-2-one, 1,3-dihydro-1,3,3-trimethyl-

4538.

58074-25-2

0

1

0

3H-Indol-3-one, 2,3,4,5,6,7-hexahydro{4,5,6,7-tetrahydro-3-indolinone}

4536.

XVII.C-1
III-13

O

N
H

166

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4539.

6917-35-7

1

1

1

Inositol

4540.

87-89-8

1

1

1

myo-Inositol

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5
II.A-5

OH
HO

OH

OH

HO
OH

4541.

3615-82-5

0

1

0

myo-Inositol, hexakis(dihydrogen phosphate),
calcium magnesium salt

XX-6

4542.

71608-14-5

0

1

0

myo-Inositol, O-2-(acetylamino)-2-deoxy-α-Dglucopyranosyl-(1→4)-O-alpha-Dglucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2[(2-hydroxy-1-oxodocosyl)amino]octadecyl
hydrogen phosphate], disodium salt

XX-6

4543.

71608-17-8

0

1

0

myo-Inositol, O-2-(acetylamino)-2-deoxy-α-Dglucopyranosyl-(1→4)-O-alpha-Dglucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-1[(2-hydroxy-1-oxopentacosyl)amino]octadecyl
hydrogen phosphate], disodium salt

XX-6

4544.

71608-15-6

0

1

0

myo-Inositol, O-2-(acetylamino)-2-deoxy-α-Dglucopyranosyl-(1→4)-O-alpha-Dglucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2[(2-hydroxy-1-oxotricosyl)amino]octadecyl
hydrogen phosphate], disodium salt

XX-6

4545.

71608-16-7

0

1

0

myo-Inositol, O-2-(acetylamino)-2-deoxy-α-Dglucopyranosyl-(1→4)-O-alpha-Dglucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2[(2-hydroxy-1-oxotetracosyl)amino]octadecyl
hydrogen phosphate], disodium salt

XX-6

4546.

71608-19-0

0

1

0

myo-Inositol, O-2-(acetylamino)-2-deoxy-α-Dglucopyranosyl-(1→4)-O-alpha-Dglucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2[(2-hydroxy-1-oxodocosyl)amino]-8-octadecenyl
hydrogen phosphate], disodium salt

XX-6

4547.

71608-20-3

0

1

0

myo-Inositol, O-2-(acetylamino)-2-deoxy-α-Dglucopyranosyl-(1→4)-O-alpha-Dglucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2[(2-hydroxy-1-oxotricosyl)amino]-8-octadecenyl
hydrogen phosphate], disodium salt

XX-6

4548.

71608-21-4

0

1

0

myo-Inositol, O-2-(acetylamino)-2-deoxy-α-Dglucopyranosyl-(1→4)-O-alpha-Dglucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2[(2-hydroxy-1-oxotetracosyl)amino]-8-octadecenyl
hydrogen phosphate], disodium salt

XX-6

4549.

71608-22-5

0

1

0

myo-Inositol, O-2-(acetylamino)-2-deoxy-α-Dglucopyranosyl-(1→4)-O-alpha-Dglucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2[(2-hydroxy-1-oxopentacosyl)amino]-8octadecenyl hydrogen phosphate], disodium salt

XX-6

4550.

71608-23-6

0

1

0

myo-Inositol, O-2-(acetylamino)-2-deoxy-α-Dglucopyranosyl-(1→4)-O-alpha-Dglucopyranuronosyl-(1→2)-, 1-[3,4-dihydroxy-2[(2-hydroxy-1-oxohexacosyl)amino]-8-octadecenyl
hydrogen phosphate], disodium salt

XX-6

4551.

89194-80-9

0

1

0

myo-Inositol, O-D-glucopyranosyl-

II.A-5

4552.

49741-70-0

0

1

0

D-myo-Inositol, O-D-glucopyranosyl-

II.A-5

167

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
4553.

S

T

S
T

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

myo-Inositol, phosphatidyl-

II.A-5
-1

4554.

20461-54-5

0

1

0

Iodide

I

4555.

7553-56-2

1

1

1

Iodine

I2

XVIII.B-3, XX-5
XVIII.B-3, XX-5

4556.

7439-88-5

1

1

1

Iridium

Ir

XX-5

4557.

7439-89-6

1

1

1

Iron

Fe

XX-5

4558.

15281-98-8

1

0

0

Iron carbonyl

Fe(CO)4

XX-6

4559.

15438-31-0

0

1

0

Iron, ion

Fe+2

XX-5

4560.

1332-37-2

0

1

0

Iron oxide

Fe2O3

XX-6

4561.

14596-12-4

1

1

1

Iron, isotope of mass 59

59

XX-5

4562.

14484-64-1

0

1

0

Iron, tris(dimethylcarbamodithioato-S,S')-, (OC-611){Ferbam®}

Fe

-

XXI-3

-

S

H3C

Fe3+

N
S-

H3C

-

-

4563.

85-44-9

0

1

0

1,3-Isobenzofurandione

{phthalic anhydride}

3

VII-1

O

O

O

4564.

56-25-7

0

1

0

1,3-Isobenzofurandione, 3a,7a-dimethyl-4,7-epoxyhexahydro{cantharidin}

VII-1

O

O

O

O

4565.

87-41-2

0

1

0

1(3H)-Isobenzofuranone

{phthalide}

VI-3

O

O

4566.

1

0

0

1(3H)-Isobenzofuranone, methyl-

VI-3

4567.

551-08-6

0

1

0

1(3H)-Isobenzofuranone, 3-butylidene-

VI-3

4568.

13277-77-5

0

1

0

1(3H)-Isobenzofuranone, 3,7-dihydroxy-3,4,5,6tetramethyl-

VI-3

4569.

66309-76-0

1

0

0

1(3H)-Isobenzofuranone, 4,5,6,7-tetrahydro-

VI-3

4570.

75-13-8

0

1

0

Isocyanic acid

4571.

52845-07-5

1

0

0

Isoeicosane

H-N=C=O

XIX-5

4572.

52655-10-4

0

1

0

Isoeicosanol

II.A-5

4573.

52845-08-6

1

0

0

Isoheneicosane

I.A-10

4574.

54365-40-1

1

1

1

Isoheptacosane

4575.

85-41-6

1

0

0

1H-Isoindole-1,3(2H)-dione

I.A-10

I.A-10
{phthalimide}

XIV-1

O

NH

O

4576.

66309-86-2

4577.

1

0

0

1H-Isoindole-1,3(2H)-dione, 4,5-dimethyl-

XIV-1

1

0

0

1H-Isoindole-1,3(2H)-dione, methyl-

XIV-1

4578.

7251-82-3

1

0

0

1H-Isoindole-1,3(2H)-dione, 4-methyl-

XIV-1

4579.

40314-06-5

1

0

0

1H-Isoindole-1,3(2H)-dione, 5-methyl-

XIV-1

168

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4580.

CAS No.

S

T

S
T

133-06-2

1

1

1

Name (per CA Collective Index)
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2[(trichloromethyl)thio]{Captan®}

Chapter
Table

Selected structures

XIV-1, XVIII.A-1, XVIII.B-3, XXI-3
O

N

S-CCl3

O

4581.

133-07-3

0

1

0

1H-Isoindole-1,3(2H)-dione, 2[(trichloromethyl)thio]-

XIV-1, XVIII.A-1, XVIII.B-3, XXI-3
{Folpan®}

O

N

S-CCl3

O

4582.

480-91-1

1

0

0

1H-Isoindol-1-one, 2,3-dihydro-

XIV-1

4583.

6091-76-5

1

0

0

1H-Isoindol-1-one, 2,3-dihydro-3-methyl-

XIV-1

4584.

7004-09-3

0

1

0

Isoleucine

4585.

1509-34-8

0

1

0

Isoleucine, allo-

4586.

73-32-5

0

1

0

L-Isoleucine

4587.

139681-66-6

0

1

0

L-Isoleucine, N-[N-[N-(N-L-methionyl-L-valyl)-Lphenylalanyl]-L-leucyl]-

4588.

80449-01-0

0

1

0

Isomerase, deoxyribonucleate topo-

XXII-2

4589.

9001-41-6

0

1

0

Isomerase, glucose phosphate

XXII-2

4590.

9055-95-2

0

1

0

Isomerase, pentose phosphate

XXII-2

4591.

9023-83-0

0

1

0

Isomerase, ribose phosphate

XXII-2

4592.

52701-70-9

0

1

0

Isopentacosane

I.A-10

4593.

27836-87-9

H3C-CH2-CH(CH3)-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
IV.A-3, IV.B-7, XII-2
H3C-CH2-CH(CH3)-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
IV.A-3, IV.B-7, XII-2, XVIII.A-1

0

1

0

Isopentadecanoic acid

IV.A-3

4594.

0

1

0

Isoperoxidase A3

XXII-2

4595.

1

0

0

Isoquinolinamine

XII-2

4596.

1532-84-9

1

0

0

1-Isoquinolinamine

4597.

119-65-3

1

1

1

Isoquinoline

XVII.E-6

4598.

64828-50-8

1

0

0

Isoquinoline, butyl-

XVII.E-6

4599.

7661-38-3

1

0

0

Isoquinoline, 1-butyl-

XVII.E-6

4600.

64973-79-1

1

0

0

Isoquinoline, dihydro-

XVII.E-6

4601.

65312-77-8

1

0

0

Isoquinoline, dihydroethyl-

XVII.E-6

4602.

65312-79-0

1

0

0

Isoquinoline, dihydromethyl-

XVII.E-6

1

0

0

Isoquinoline, dimethyl-

XVII.E-6

4604.

64828-51-9

1

0

0

Isoquinoline, ethyl-

XVII.E-6

4605.

61010-32-0

0

1

0

Isoquinoline, 1-[(4-methoxy-3-nitrophenyl)methyl]-,
mononitrate

XVII.E-6

4606.

58853-80-8

1

0

0

Isoquinoline, methyl{several methylquinolines detected in MSS}

XVII.E-6

4607.

1721-93-3

1

0

0

Isoquinoline, 1-methyl-

XVII.E-6

4608.

1125-80-0

1

0

0

Isoquinoline, 3-methyl-

XVII.E-6

4609.

64828-49-5

1

0

0

Isoquinoline, (1-methylethyl)-

XVII.E-6

4603.

XII-2

169

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
4610.

S

T

S
T

1

0

0

Isoquinoline, methyltetrahydro-

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVII.E-6

4611.

64849-98-5

1

0

0

Isoquinoline, propyl-

XVII.E-6

4612.

29832-78-8

1

0

0

Isoquinoline, tetrahydro-

XVII.E-6

4613.

64849-99-6

1

0

0

Isoquinolinecarbonitrile

XI-2

4614.

1198-30-7

1

0

0

1-Isoquinolinecarbonitrile

XI-2

0

1

0

5,6-Isoquinolinedione, 7,8-dihydro-1,3,7,7tetramethyl-

0

1

0

8(5H)-Isoquinolinone, 6,7-dihydro-1,3,6,6tetramethyl- [6,7-dihydro- or 5,6,7,8-tetrahydro-?]

4615.
4616.

55713-38-7

III-13
CH3

III-13

O

N
CH3
H3C
CH3

4617.

27137-10-6

1

0

0

Isotetradecanoic acid, methyl ester

V-3

4618.

556-61-6

0

1

0

Isothiocyanic acid, methyl-

4619.

288-16-4

1

0

0

Isothiazole

4620.

34425-19-9

1

0

0

Isotriacontane

4621.

288-14-2

0

1

0

Isoxazole

4622.

300-87-8

0

1

0

Isoxazole, 3,5-dimethyl-

4623.

10557-82-1

1

0

0

Isoxazole, trimethyl- = Isoxazole, 3,4,5-trimethyl-

{Trapex®}

H3C-N=S

XVIII.A-1
I.A-10
XVII.D-2
XVII.D-2

81777-89-1

0

1

0

3-Isoxazolidinone 2-((2-chlorophenyl)methyl)-4,4dimethyl{Clomazone®}

XVII.D-2

CH3

H3C

N

H3C

4624.

XVIII.A-1, XXI-3

O

XVII.D-2,
XVIII.B-3,
XXI-3

Cl

O
N
O

4625.

9013-02-9

0

1

0

Kinase (phosphorylating), adenylate

XXII-2

4626.

9012-50-4

0

1

0

Kinase (phosphorylating), aspartate

XXII-2

4627.

9026-67-9

0

1

0

Kinase (phosphorylating), choline

XXII-2

4628.

9001-36-9

0

1

0

Kinase (phosphorylating), gluco-

XXII-2

4629.

9026-62-4

0

1

0

Kinase (phosphorylating), glucurono-

XXII-2

4630.

9001-51-8

0

1

0

Kinase (phosphorylating), hexo-

XXII-2

4631.

9032-66-0

0

1

0

Kinase (phosphorylating), nicotinamide adenine
dinucleotide

XXII-2

4632.

9001-80-3

0

1

0

Kinase (phosphorylating), phosphofructo-

XXII-2

4633.

9032-96-6

0

1

0

Kinase (phosphorylating), phosphogluco-

XXII-2

4634.

150656-38-5

0

1

0

Kinase (phosphorylating), protein (tobacco BY-2 cell
isoenzyme ZmPK1 reduced)

XXII-2

4635.

9001-59-6

0

1

0

Kinase (phosphorylating), pyruvate

XXII-2

4636.

9027-40-1

0

1

0

Kinase (phosphorylating), pyruvate-phosphate di-

XXII-2

4637.

9030-57-3

0

1

0

Kinase (phosphorylating), ribulo-

XXII-2

4638.

9031-51-0

0

1

0

Kinase (phosphorylating), shikimate

XXII-2

4639.

63-42-3

0

1

0

Lactose

4640.

79-62-9

0

1

0

Lanost-8-en-3-ol, (3β)-

II.B-2

4641.

6890-88-6

0

1

0

Lanost-8-en-3-ol, 24-methylene-, (3β)-

II.B-2

4642.

26409-08-5

0

1

0

Lanost-9(11)-en-3-ol, 24,25-epoxy-, (3β)-

II.B-2

II.A-5, VIII-3

170

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4643.

CAS No.

S

T

S
T

79-63-0

0

1

0

Name (per CA Collective Index)
Lanosta-8,24-dien-3-ol, (3β)-

Chapter
Table

Selected structures

{lanosterol}

CH3
CH3
H3C
CH3
CH3
HO
H3 C

CH3

II.B-2
II.B-2, V-3

4644.

67493-77-0

0

1

0

Lanostane-3,7,11-triol, 3,7-diacetate, (3β,7β,11β)-

4645.

70898-27-0

0

1

0

Lanostane-3,7-diol, (3β,7β)-

4646.

7439-91-0

1

1

1

Lanthanum

La

XX-5
XX-5

II.B-2

4647.

13981-28-7

1

1

1

Lanthanum, isotope of mass 140

140

4648.

7439-92-1

1

1

1

Lead

Pb

XX-5
XX-5

La

4649.

14255-04-0

1

1

1

Lead, isotope of mass 210

210

4650.

15092-94-1

0

1

0

Lead, isotope of mass 212

212

XX-5
XX-5
XX-5

4651.

15067-28-4

4652.
4653.

Pb
Pb

0

1

0

Lead, isotope of mass 214

214

0

1

0

Lead, isotope of mass 218

218

Pb
Pb

0

1

0

Lecithins

7005-03-0

1

1

1

Leucine

4655.

61-90-5

0

1

0

L-Leucine

IV.A-3, IV.B-7, XII-2

4656.

139681-65-5

0

1

0

L-Leucine, N-[N-[N-[N-[N-[N-[N-(N-L-methionyl-Lphenylalanyl)-L-seryl]-L-leucyl]-L-leucyl]-Lmethionyl]-L-valyl]-L-valyl]-

IV.A-3, IV.B-7, XII-2

4657.

9005-53-2

0

1

0

Lignin

VIII-3

4658.

8068-04-0

0

1

0

Lignin, Klason

VIII-3

4659.

8068-00-6

0

1

0

Lignin, milled wood

VIII-3

4660.

9001-62-1

0

1

0

Lipase, triacylglycerol

XXII-2

0

1

0

Lipoxygenase

7439-93-2

1

1

1

Lithium

4654.

4661.
4662.
4663.

17341-24-1

0

1

0

Lithium, ion

4664.

545-47-1

0

1

0

Lup-20(29)-en-3-ol, (3β)-

XII-2
(H3C)2=CH-CH2-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2

XXII-2
Li
Li

XX-5
+1

XX-5

HO

4665.

7439-94-3

1

1

1

Lutecium

4666.

9045-78-7

0

1

0

Lyase, isocitrate

4667.

9015-75-2

0

1

0

Lyase, pectate

4668.

6899-06-5

0

1

0

Lysine

4669.

28902-93-4

0

1

0

Lysine, hydroxy-

4670.

56-87-1

0

1

0

L-Lysine

II.B-2

Lu

XX-5
XXII-2
XXII-2

H2N-(CH2)4-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2
IV.A-3, IV.B-7, XII-2
H2N-(CH2)4-CH(NH2)-COOH
IV.A-3, IV.B-7

171

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4671.

CAS No.

S

T

S
T

1114-34-7

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

Lyxose

II.A-5, X-2

O
OH OH
OH

HO

4672.

90803-60-4

0

1

0

M-1nkh

4673.

14428-12-7

0

1

0

Magnesate(1-), [9-ethenyl-14-ethyl-13-formyl-21(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3phorbinepropanoato(3-)-N23,N24,N25,N26]-,
hydrogen, [SP-4-2-[3S-(3α,4β,21β)]]{chlorophyllide b}

XX-6

4674.

14897-06-4

0

1

0

Magnesate(1-), [9-ethenyl-14-ethyl-21(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo3-phorbinepropanoato(3-)-N23,N24,N25,N26]-,
hydrogen, [SP-4-2-[3S-(3α,4β,21β)]]{chlorophyllide a}

XX-6

4675.

15611-43-5

0

1

0

Magnesate(3-), [18-carboxy-20-(carboxymethyl)-8ethenyl-13-ethyl-2,3-dihydro-3,7,12, 17tetramethyl-21H,23H-porphine-2-propanoato(5-)N21,N22,N23,N24]-, trihydrogen, [SP-4-2-(2Strans)]{chlorophyllin}

XX-6

4676.

7439-95-4

1

1

1

Magnesium

4677.

22537-22-0

4678.
4679.

4680.

Mg

XX-5

+2

0

1

0

Magnesium, ion

Mg

XX-5

1309-48-4

0

1

0

Magnesium oxide

MgO

XX-6

479-61-8
42617-16-3

0

1

0

Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl
9-ethenyl-14-ethyl-21-(methoxycarbonyl)4,8,13,18-tetramethyl-20-oxo-3phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]{chlorophyll a}

XX-6

519-62-0

0

1

0

Magnesium, [3,7,11,15-tetramethyl-2-hexadecenyl
9-ethenyl-14-ethyl-13-formyl-21(methoxycarbonyl)-4,8,18-trimethyl-20-oxo-3phorbinepropanoato(2-)-N23,N24,N25,N26]-, [SP4-2-[3S-[3α(2E,7S*,11S*),4β,21β]]]{chlorophyll b}

XX-6

0

1

0

Maltase

69-79-4

0

1

0

α-Maltose

4681.
4682.

XXII-2

XXII-2
CH2OH

II.A-5,
VIII-3

CH2OH

O

O

OH

OH

OH
O

OH
OH

4683.

0

1

0

β-Maltose

OH

II.A-5

4684.

7439-96-5

1

1

1

Manganese

Mn

XX-5

4685.

13446-35-0

0

1

0

Manganese chloride

MnCl4

XX-6

4686.

12427-38-2

0

1

0

Manganese, [[1,2ethanediylbis[carbamodithioato]](2-)]- {Maneb®}

XVIII.A-1,
XX-6,
XXI-3

Mn2+
S-

S-

S

S
HN

NH

172

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4687.

CAS No.

S

T

S
T

8018-01-7

0

1

0

Name (per CA Collective Index)
Manganese, [[1,2-ethanediylbis[carbamodithioato]](2-)] + zinc, [[1,2-ethanediylbis[carbamodithioato]](2-)]
{Mancozeb®}

Maneb +
S-

SS

HN

16397-91-4

0

1

0

Manganese, ion

Mn+2
56

4689.

14681-52-8

0

1

0

Manganese, isotope of mass 56

4690.

69-65-8

1

1

1

D-Mannitol

4691.

31103-86-3

1

1

1

Mannose

{cordycepic acid}

XVIII.A-1,
XX-6,
XXI-3

Zn2+
S

4688.

Chapter
Table

Selected structures

NH

XX-5

Mn

XX-5

HOCH2-(CHOH)4-CH2OH

II.A-5
II.A-5
VIII-3

CH2OH
O
OH OH
HO

4692.

3458-28-4

1

1

1

D-Mannose

4693.

14307-02-9

0

1

0

D-Mannose, 2-amino-2-deoxy-

4694.

3615-41-6

1

1

1

L-Mannose, 6-deoxy-

OH

{seminose}

II.A-5, VIII-3

{mannosamine}

II.A-5, XII-2

{α-rhamnose}

HO

O

II.A-5, VIII-3

OH

CH3

OH OH

4695.

9025-42-7

0

1

0

Mannosidase, α-

4696.

8049-97-6

0

1

0

Melanin

4697.

585-99-9

0

1

0

Melibiose

XXII-2
XXII-2
OH

CH2OH
HO

II.A-5, VIII-3

HO

O
OH

OH
O OH

O
OH

CH2

4698.

7439-97-6

1

1

1

Mercury

Hg

XX-5

4699.

13982-78-0

0

1

0

Mercury, isotope of mass 203

203

XX-5

4700.

9002-91-9

0

1

0

Metaldehyde

4701.

74-89-5

1

1

1

Methanamine

4702.

75-50-3

1

1

1

4703.

124-40-3

1

1

1

4704.

62-75-9

1

1

1

Methanamine, N-methyl-N-nitroso-

Hg

{acetaldehyde tetramer}

XXI-3

{methylamine}

H3C-NH2

XII-2

Methanamine, N,N-dimethyl-

{trimethylamine}

(H3C)3≡N

XII-2

Methanamine, N-methyl-

{dimethylamine}

(H3C)2=NH

XII-2

{NDMA}

(H3C)2=N-NO(H3C)2=NH

XII-2, XV-8

4705.

107-43-7

0

1

0

Methanaminium, 1-carboxy-N,N,N-trimethyl-, inner
salt
{betaine}

-

4706.

74-82-8

1

0

0

Methane

CH4

4707.

74-83-9

1

1

1

Methane, bromo{Brom-o-Gas®,
Methogas®, Profume®, Terr-o-Gas®, Zytox®}

H3C-Br

XVIII.B-3, XXI-3

4708.

74-87-3

1

0

0

Methane, chloro-

H3C-Cl

XVIII.B-3, XXI-3

4709.

75-09-2

1

1

1

Methane, dichloro-

H2C=Cl2

XVIII.B-3, XXI-3

4710.

75-71-8

1

0

0

Methane, dichlorodifluoro-

CF2Cl2

XVIII.B-3

4711.

74-88-4

1

0

0

Methane, iodo-

H3C-I

XVIII.B-3

4712.

624-83-9

1

0

0

Methane, isocyanato-

4713.

75-52-5

1

0

0

Methane, nitro-

{methyl isocyanate}

+

OOC-CH2-N ≡(CH3)3

XII-2
1.A-10

H3C-N=C=O

V-3

H3C-NO2

XVI-1

4714.

76-06-2

0

1

0

Methane, nitrotrichloro-

{Chloropicrin®}

Cl3≡C-NO2

XVI-1, XXI-3

4715.

115-10-6

0

1

0

Methane, oxybis-

{dimethyl ether}

H3C-O-CH3

X-2

173

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4716.

67-68-5

0

1

0

Methane, sulfinylbis-

4717.

75-18-3

1

1

1

Methane, thiobis-

4718.

67-66-3

1

1

1

Methane, trichloro-

4719.

75-69-4

1

1

1

Methane, trichlorofluoro-

4720.

37924-13-3

0

1

0

Methanesulfonamide, trifluoro-N-(2-methyl-4(phenylsulfonyl)phenyl){Perfluidone®}

Name (per CA Collective Index)

Chapter
Table

Selected structures

XVIII.A-1
{methyl sulfide}
{chloroform}

(H3C)2=S

XVIII.A-1

H-C≡Cl3

XVIII.B-3, XXI-3

F-C≡Cl3

{methyl mercaptan}

XVIII.B-3

O

O

S

NH-S-CF 3

O

O

XXI-3

4721.

74-93-1

1

0

0

Methanethiol

4722.

475-20-7

0

1

0

1,4-Methanoazulene, decahydro-4,8,8-trimethyl-9methylene-, [1S-(1α,3aβ,4α,8aβ)]-

H3C-SH

XVIII.A-1
I.C-1

4723.

469-61-4

0

1

0

1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro3,6,8,8-tetramethyl-, [3R-(3α,3aβ,7β,8aα)]-

I.C-1

4724.

77-53-2

0

1

0

1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8tetramethyl-, [3R-(3α,3aβ,6α,7β,8aα)]-

II.A-5

CH3

CH3

OH
CH3
CH3

4725.

4586-22-5

0

1

0

4,8-Methanoazulen-9-ol, decahydro-2,2,4,8tetramethyl-, stereoisomer

II.A-5

4726.

17622-35-4

0

1

0

4,8-Methanoazulen-9-ol, decahydro-2,2,4,8tetramethyl-, acetate, stereoisomer

V-3

4727.

1031-07-8

1

1

1

6,9-Methano-2,4,3-benzodioxathiepin,
6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9ahexahydro-, 3,3-dioxide
{Thiodan® sulfate; Endosulfan® sulfate}

4728.

115-29-7

1

1

1

6,9-Methano-2,4,3-benzodioxathiepin,
6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9ahexahydro-, 3-oxide
{Thiodan®; Thiosulfan®; Endosulfan®}

Cl
CCl 2
Cl

XVIII.B-3,
XXI-3

O

O

Cl

S
O

O

Cl
Cl

XVIII.B-3,
XXI-3

O

Cl
CCl2
Cl

S

O

O
Cl

4729.

33213-65-9

1

1

1

6,9-Methano-2,4,3-benzodioxathiepin,
6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9ahexahydro-, 3-oxide, (3α,5aα,6β,9β,9aα){β-Endosulfan®}

XVIII.B-3, XXI-3

4730.

959-98-8

1

1

1

6,9-Methano-2,4,3-benzodioxathiepin,
6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9ahexahydro-, 3-oxide, (3α,5aβ,6α,9α,9aβ){α-Endosulfan®}

XVIII.B-3, XXI-3

4731.

88125-11-5

0

1

0

7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7one, 1a,2,3,4,7a,7b-hexahydro-1a,5,7b-trimethyl-,
[1aS-(1aα,2β,4aβ,7aα,7bα)]-

III-13

4732.

105300-09-2

0

1

0

7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7one, 1a-[(β-Dglucopyranosyloxy)methyl]octahydro-5,7bdimethyl-

III-13

4733.

125537-96-4

0

1

0

7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7one, 3-(β-D-glucopyranosyloxy)octahydro-1a,5,7btrimethyl-, [1aS-(1aα,2β,3β,4aβ,5α,7aα,7bα)]-

II.A-5, III-13

4734.

125537-95-3

0

1

0

7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7one, 4-(β-D-glucopyranosyloxy)octahydro-1a,5,7btrimethyl-, [1aS-(1aα,2β,4β,4aβ,5α,7aα,7bα)]-

II.A-5, III-13

174

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4735.

105300-10-5

0

1

0

7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7one, 5-[(β-D-glucopyranosyloxy)methyl]octahydro1a,7b-dimethyl-, [1aS-(1aα,2β,4aβ,5α,7aα,7bα)]-

II.A-5, III-13

4736.

88848-60-6

0

1

0

7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7one, 6-[(2-O-β-D-glucopyranosyl-β-Dglucopyranosyl)oxy]octahydro-1a,5,7b-trimethyl-,
[1aS-(1aα,2β,4aβ,5α,6β,7aα,7bα )]-

II.A-5, III-13

4737.

68690-84-6

0

1

0

7H-2,4a-Methano-1H-cyclobuta[de]naphthalen-7one, octahydro-1a,5,7b-trimethyl-, [1aS(1aα,2β,4aβ,5α,7aα,7bα)]-

4738.

76-44-8

1

1

1

4,7-Methano-1H-indene, 1,4,5,6,7,8,8-heptachloro3a,4,7,7a-tetrahydro{Heptachlor®}

4739.

5103-71-9

0

1

0

4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro2,3,3a,4,7,7a-hexahydro{α-Chlordane®}

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13

XVIII.B-3,
XXI-3

Cl

XVIII.B-3,
XXI-3

Cl

Cl
CCl2

Cl

Cl
Cl

4740.

12789-03-6

0

1

0

4,7-Methano-1H-indene, 1,2,4,5,6,7,8,8-octachloro2,3,3a,4,7,7a-hexahydro{γ-Chlordane®}

4741.

1024-57-3

1

1

1

2,5-Methano-2H-indeno[1,2-b]oxirene,
2,3,4,5,6,7,7-heptachloro-1a,1b,5,5a,6,6ahexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα){Heptachlor® epoxide}

XVIII.B-3, XXI-3
Cl

XVIII.B-3,
XXI-3

Cl

Cl
CCl2
O

Cl
Cl

4742.

297-78-9

1

1

1

4,7-Methanoisobenzofuran, 1,3,4,5,6,7,8,8octachloro-1,3,3a,4,7,7a-hexahydro{Isobenzan®; Telodrin®}

Cl

XVIII.B-3,
XXI-3

Cl

Cl
CCl2

O

Cl
Cl

4743.

113-48-4

0

1

0

4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(2ethylhexyl)-3a,4,7,7a-tetrahydro-

4744.

67-56-1

1

1

1

Methanol

4745.

5293-97-0

1

1

1

Methanone, bis(2-chlorophenyl)-

4746.

90-98-2

1

0

0

Methanone, bis(4-chlorophenyl)-

Cl

XIV-1, XXI-3

H3C-OH

II.A-5
III-13, XVIII.B-3, XXI-3
III-13, XVIII.B-3, XXI-3
O

Cl

4747.

24966-13-0

1

0

0

Methanone, cyclopropyl-3-pyridinyl-

4748.

119-61-9

1

1

1

Methanone, diphenyl-

4749.

5162-03-8

0

1

0

Methanone, (2-chlorophenyl)phenyl-

{benzophenone}

C

Cl

III-13
C6H5-CO-C6H5

III-13
III-13, XVIII.B-3

175

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4750.

2385-85-5

0

1

0

1,3,4-Metheno-1H-cyclobuta[cd])pentalene,
1,1a,2,2,3,3a,4,5,5,5a,5b,6dodecachlorooctahydro{Mirex®}

4751.

7005-18-7

0

1

0

Methionine

4752.

63-68-3

0

1

0

L-Methionine

4753.

20236-97-9

0

1

0

D-Methionine, N-(carboxyacetyl)-

4754.

2143-68-2

1

0

0

Methoxy radical

CH3O

XXVII-1

4755.

2229-07-4

1

0

0

Methyl radical

CH3

XXVII-1

4756.

55285-14-8

0

1

0

Methylcarbamic acid, 2,3-dihydro-2,2-dimethyl-7benzofuranyl [(di-N-butylamino)thio] ester
{Carbosulfan®}

Name (per CA Collective Index)

Chapter
Table

Selected structures

XXI-3

XVIII.A-1
H3C-S-(CH2)2-CH(NH2)-COOH

XVIII.A-1
XVIII.A-1

4757.

2032-59-9

0

1

0

Methylcarbamic acid, 4-(dimethylamino)-3methylphenyl ester
{Aminocarb®}

4758.

2032-65-7

0

1

0

Methylcarbamic acid, 3,5-dimethyl-4(methylthio)phenyl ester
{Methiocarb®}

XXI-3

(CH2)3-CH3
OOC-N(CH3)-S-N
(CH2)3-CH3

O

(H3C)2N

XXI-3

OOC-NH-CH3

CH3

XXI-3

H3C-NH-COO

S

XXI-3

4759.

29973-13-5

0

1

0

Methylcarbamic acid, 2-((ethylthio)methyl)phenyl
ester
{Ethiofencarb®}

4760.

1822-74-8

1

0

0

Methyl ethenyl sulfide

4761.

50936-45-3

0

1

0

Methyltransferase, caffeate

XXII-2

4762.

9012-25-3

0

1

0

Methyltransferase, catechol

XXII-2

4763.

152288-82-9

0

1

0

Methyltransferase, catechol (tobacco clone OMT3.4
isoenzyme II reduced)

XXII-2

4764.

9012-40-2

0

1

0

Methyltransferase, homocysteine

XXII-2

4765.

9027-77-4

0

1

0

Methyltransferase, methionine S-

XXII-2

4766.

9055-07-6

0

1

0

Methyltransferase, protein (arginine)

XXII-2

4767.

9075-39-2

0

1

0

Methyltransferase, putrescine

XXII-2

4768.

7439-98-7

1

1

1

Molybdenum

Mo

XX-5

4769.

16065-87-5

0

1

0

Molybdenum, ion

Mo+6

XX-5

4770.

110-91-8

0

1

0

Morpholine

4771.

110488-70-5

0

1

0

Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4dimethoxyphenyl)-1-oxo-2-propenyl){Dimethomorph®; Acrobat®}

4772.

147688-58-2

0

1

0

Morpholine, 2,2-dimethyl-

4773.

59-89-2

1

1

1

Morpholine, 4-nitroso-

4774.

70699-77-3

0

1

0

3-Morpholinepropanamide, 2-oxo-6-(1,2,3,4tetrahydroxybutyl)-, [3S-[3α,6α(1R*,2S*,3S*)]]-

4775.

9047-56-7

0

1

0

Mutase

S

H3C-NH-COO

H3C-S-CH=CH2

XVIII.A-1

X-2, XVII.D-2
X-2, XVII.D-2, XVIII.B-3, XXI-3

X-2, XVII.D-2
{NMOR}

X-2, XV-8, XVII.D-2

X-2, XVII.D-2
XXII-2

176

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4776.

92-24-0

1

0

0

Naphthacene

I.E-6

4777.

5385-22-8

1

0

0

Naphth[1,2-e]acephenanthrylene
{dibenzo[b,j]fluoranthene}

I.E-6

4778.

28258-64-2

1

0

0

Naphthalenamine, N-phenyl-

XII-2

4779.

134-32-7

1

0

0

1-Naphthalenamine
{naphthalene, 1-amino-; α-naphthylamine}

XII-2

4780.

2246-44-8

1

0

0

1-Naphthalenamine, 2-methyl-

XII-2

4781.

91-59-8

1

0

0

2-Naphthalenamine
{naphthalene, 2-amino-; β-naphthylamine}

XII-2

4782.

10546-24-4

1

0

0

2-Naphthalenamine, 3-methyl-

4783.

135-88-6

1

0

0

2-Naphthalenamine, N-phenyl-

4784.

91-20-3

1

1

1

Naphthalene

Name (per CA Collective Index)

XII-2

I.E-6

1

8

2
3

6
4

5

4786.

91-17-8

1

0

0

Naphthalene, alkyl-

1

0

0

Naphthalene, decahydro-

XII-2

NH-C6H5

7

4785.

Chapter
Table

Selected structures

I.E-6
8
7

8a
4a

6
5

I.C-1

1
2
3
4

4787.

29350-73-0

0

1

0

Naphthalene, decahydro-1,6-dimethyl-4-(1methylethyl){cadinene}

I.C-1

4788.

3242-05-5

0

1

0

Naphthalene, decahydro-1,8a-dimethyl-7-(1methylethyl)-, [1S- (1α,4aα,7α,8aα)]-

I.C-1

4789.

3738-00-9

0

1

0

Naphthalene, decahydro-1-ethoxido-2,5,5,8atetramethyl{ambroxan}

4790.

31831-35-3

0

1

0

Naphthalene, diethyl-

I.E-6

4791.

29828-28-2

1

0

0

Naphthalene, dihydro-

I.E-6

4792.

72692-88-7

1

0

0

Naphthalene, dihydrodimethyl{at least 4 isomers in MSS}

I.E-6

4793.

39292-53-0

1

0

0

Naphthalene, dihydromethyl{at least 3 isomers in MSS}

I.E-6

4794.

2717-44-4

1

0

0

Naphthalene, 1,2-dihydro-3-methyl-

I.E-6

4795.

4373-13-1

1

0

0

Naphthalene, 1,2-dihydro-4-methyl-

I.E-6

X-2

O-

177

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4796.

CAS No.

S

T

S
T

67494-22-8

0

1

0

Naphthalene, 1,2-dihydro-5-methyl-3-(1methylethenyl)-

I.E-6

1

1

1

Naphthalene, dihydrotrimethyl{at least 2 isomers in MSS}

I.E-6

4797.

Name (per CA Collective Index)

Chapter
Table

Selected structures

4798.

30364-38-6

1

1

1

Naphthalene, 1,2-dihydro-1,1,6-trimethyl-

I.E-6

4799.

4506-36-9

1

1

1

Naphthalene, 1,2-dihydro-1,5,8-trimethyl-

I.E-6

4800.

28804-88-8

1

1

1

Naphthalene, dimethyl-

I.E-6

4801.

573-98-8

1

1

1

Naphthalene, 1,2-dimethyl-

I.E-6

4802.

575-41-7

1

1

1

Naphthalene, 1,3-dimethyl-

I.E-6

4803.

571-58-4

1

1

1

Naphthalene, 1,4-dimethyl-

I.E-6

4804.

571-61-9

1

1

1

Naphthalene, 1,5-dimethyl-

I.E-6

4805.

575-43-9

1

1

1

Naphthalene, 1,6-dimethyl-

I.E-6

4806.

575-37-1

1

1

1

Naphthalene, 1,7-dimethyl-

I.E-6

4807.

569-41-5

1

1

1

Naphthalene, 1,8-dimethyl-

I.E-6

4808.

581-40-8

1

1

1

Naphthalene, 2,3-dimethyl-

I.E-6

4809.

581-42-0

1

1

1

Naphthalene, 2,6-dimethyl-

I.E-6

4810.

582-16-1

1

1

1

Naphthalene, 2,7-dimethyl-

I.E-6

4811.

71630-68-7

1

0

0

Naphthalene, dimethyl-2-ethenyl-

I.E-6

4812.

65319-44-0

1

0

0

Naphthalene, dimethylethyl-

I.E-6

4813.

71607-89-1

1

0

0

Naphthalene, 1,4-dimethyl-2-ethyl-

I.E-6

4814.

66309-90-8

1

0

0

Naphthalene, 1,4-dimethyl- 5-ethyl-

I.E-6

4815.

483-76-1

0

1

0

Naphthalene, 4,7-dimethyl-1,2,3,5,6,8a-hexahydro1-(1-methylethyl)-, (1S-cis)-

I.C-1

4816.

31983-22-9

0

1

0

Naphthalene, 4,7-dimethyl-1,2,4a,5,6,8ahexahydro-1-(1-methylethyl)- {α-muurolene}

I.C-1

4817.

483-77-2

0

1

0

Naphthalene, 1,6-dimethyl-4-(1-methylethyl)1,2,3,4-tetrahydro-, (1S-Z)-

I.E-6

4818.

4630-07-3

0

1

0

Naphthalene, 1,8a-dimethyl-7-(1-methylethenyl)1,2,3,5,6,7,8,8a-octahydro- [1R 1α,7β,8a α]
{valencene}

I.C-1
CH2
CH3
CH3

CH3

178

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4819.

CAS No.

S

T

S
T

10219-75-7

0

1

0

Name (per CA Collective Index)
Naphthalene, 1,8a-dimethyl-7-(1-methylethenyl)1,2,3,5,6,7,8,8a-octahydro- [1R 1α,7 α,8a α]
{eremophilene}

I.C-1
CH2
CH3
CH3

4820.

71607-60-8

4821.

Chapter
Table

Selected structures

CH3

1

0

0

Naphthalene, dimethyl-2-phenyl-

I.E-6

1

0

0

Naphthalene, dimethyltetrahydro{at least 3 isomers in MSS}

I.E-6

4822.

51855-29-9
65338-07-0

1

0

0

Naphthalene, dimethyl-1,2,3,4-tetrahydro{at least 5 isomers in MSS}

I.E-6

4823.

826-74-4

1

0

0

Naphthalene, 1-ethenyl-

I.E-6

4824.

827-54-3

1

0

0

Naphthalene, 2-ethenyl-

I.E-6

4825.

64031-89-6

1

0

0

Naphthalene, 2-ethenylmethyl{at least 2 isomers in MSS}

I.E-6

4826.

35737-86-1

1

0

0

Naphthalene, 2-ethenyl-1-methyl-

I.E-6

4827.

93-18-5

0

1

0

Naphthalene, 2-ethoxy-

X-2

4828.

27138-19-8

1

0

0

Naphthalene, ethyl-

I.E-6

4829.

1127-76-0

1

1

1

Naphthalene, 1-ethyl-

I.E-6

4830.

939-27-5

1

1

1

Naphthalene, 2-ethyl-

I.E-6

4831.

31391-42-1

1

0

0

Naphthalene, ethylmethyl-

I.E-6

4832.

17057-94-2

1

1

1

Naphthalene, 1-ethyl-3-methyl-

I.E-6

4833.

17057-92-0

1

1

1

Naphthalene, 1-ethyl-5-methyl-

I.E-6

4834.

31032-91-4

1

1

1

Naphthalene, 1-ethyl-6-methyl-

I.E-6

4835.

31032-92-5

1

1

1

Naphthalene, 1-ethyl-7-methyl-

I.E-6

4836.

61886-71-3

1

1

1

Naphthalene, 1-ethyl-8-methyl-

I.E-6

4837.

31032-94-7

1

1

1

Naphthalene, 2-ethyl-3-methyl-

I.E-6

4838.

17179-41-8

1

1

1

Naphthalene, 2-ethyl-4-methyl{naphthalene, 3-ethyl-1-methyl-}

I.E-6

4839.

17059-53-9

1

1

1

Naphthalene, 2-ethyl-5-methyl{naphthalene, 6-ethyl-1-methyl-}

I.E-6

4840.

7372-86-3

1

1

1

Naphthalene, 2-ethyl-6-methyl-

I.E-6

4841.

17059-55-1

1

1

1

Naphthalene, 2-ethyl-7-methyl-

I.E-6

4842.

77242-78-5

1

0

0

Naphthalene, hexamethyl-

I.E-6

4843.

93-04-9

0

1

0

Naphthalene, 2-methoxy-

X-2

4844.

1321-94-4

1

1

1

Naphthalene, methyl-

I.E-6

4845.

90-12-0

1

1

1

Naphthalene, 1-methyl-

I.E-6

4846.

91-57-6

1

1

1

Naphthalene, 2-methyl-

I.E-6

4847.

29253-36-9

1

1

1

Naphthalene, (1-methylethyl)-

I.E-6

0

1

0

Naphthalene, 2 (1-methylethyl)-

I.E-6

39029-41-9

0

1

0

Naphthalene, 7-methyl-4-methylene-1-(1methylethyl)- 1,2,3,4,4a,5,6,8a-octahydro-,
(1α,4aβ,8aα){γ-cadinene}

I.C-1

1

0

0

Naphthalene, methylphenyl-

I.E-6

1

0

0

Naphthalene, methyl-2-phenyl-

I.E-6

4848.
4849.

4850.
4851.

71607-61-9

{β-naphthyl ethyl ether}

179

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

34540-66-4

0

1

0

Naphthalene, methylpropyl-

4853.

1680-58-6

1

1

1

Naphthalene, 1-(1-methylpropyl)-

I.E-6

4854.

16727-91-6

1

1

1

Naphthalene, 1-(2-methylpropyl)-

I.E-6

4855.

71607-57-3

1

1

1

Naphthalene, methyltetrahydro{at least 3 isomers in MSS}

I.E-6

4856.

31291-71-1

1

1

1

Naphthalene, methyl-1,2,3,4-tetrahydro-

I.E-6

1

1

1

Naphthalene, 1-methyl-1,2,3,4-tetrahydro-

I.E-6

4858.

3877-19-8

1

1

1

Naphthalene, 2-methyl-1,2,3,4-tetrahydro-

I.E-6

4859.

2809-64-5

0

1

0

Naphthalene, 5-methyl-1,2,3,4-tetrahydro-

I.E-6

4860.

1680-51-9

1

1

1

Naphthalene, 6-methyl-1,2,3,4-tetrahydro{naphthalene, 2-methyl-5,6,7,8-tetrahydro-}

I.E-6

4852.

4857.

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.E-6

4861.

86-57-7

1

1

1

Naphthalene, 1-nitro-

XVI-1

4862.

56908-81-7

1

1

1

Naphthalene, pentamethyl-

I.E-6

4863.

605-02-7

1

1

1

Naphthalene, 1-phenyl-

I.E-6

4864.

612-94-2

1

1

1

Naphthalene, 2-phenyl-

I.E-6

4865.

71697-04-6

1

0

0

Naphthalene, phenyl-, monomethyl derivative

I.E-6

4866.

27378-74-1

0

1

0

Naphthalene, propyl-

I.E-6

4867.

2765-18-6

1

0

0

Naphthalene, 1-propyl-

I.E-6

4868.

2027-19-2

1

0

0

Naphthalene, 2-propyl-

4869.

119-64-2

1

1

1

Naphthalene, 1,2,3,4-tetrahydro-

{tetralin}

I.E-6

4870.

121214-18-4

1

0

0

Naphthalene, tetrahydrotrimethyl{at least 3 isomers in MSS}

I.E-6

4871.

72843-02-8

1

0

0

Naphthalene, 1,2,3,4-tetrahydrotrimethyl{at least 3 isomers in MSS}

I.E-6

4872.

475-03-6

1

1

1

Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl{α-ionene}

I.E-6

4873.

21693-51-6

0

1

0

Naphthalene, 1,2,3,4-tetrahydro-1,5,8-trimethyl-

I.E-6

4874.

30316-36-0

0

1

0

Naphthalene, 1,2,3,4-tetrahydro-1,6,8-trimethyl-

I.E-6

4875.

28652-74-6

1

1

1

Naphthalene, tetramethyl{at least 4 isomers in MSS}

I.E-6

4876.

28652-77-9

1

1

1

Naphthalene, trimethyl{at least 10 isomers in MSS}

I.E-6

4877.

2717-42-2

1

1

1

Naphthalene, 1,2,4-trimethyl-

I.E-6

4878.

3031-05-8

1

1

1

Naphthalene, 1,2,6-trimethyl-

I.E-6

4879.

486-34-0

1

1

1

Naphthalene, 1,2,7-trimethyl-

I.E-6

4880.

2131-39-7

1

1

1

Naphthalene, 1,3,5-trimethyl-

I.E-6

4881.

3031-08-1

1

1

1

Naphthalene, 1,3,6-trimethyl-

I.E-6

4882.

2131-41-1

1

0

0

Naphthalene, 1,4,5-trimethyl-

I.E-6

4883.

2131-42-2

1

1

1

Naphthalene, 1,4,6-trimethyl-

I.E-6

4884.

2245-38-7

1

1

1

Naphthalene, 1,6,7-trimethyl{naphthalene, 2,3,5-trimethyl-}

I.E-6

4885.

829-26-5

1

1

1

Naphthalene, 2,3,6-trimethyl-

I.E-6

I.E-6

180

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4886.

68985-11-5

0

1

0

1-Naphthaleneacetaldehyde, 3,4,4a,5,6,7,8,8aoctahydro-2,5,5,8a-tetramethyl-, (4aS-trans)-

4887.

3243-36-5

0

1

0

1-Naphthaleneacetaldehyde, decahydro-5,5,8atrimethyl-2-methylene-, [1S-(1α,4aβ,8aα)]-

4888.

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-12

CHO

III-12

CHO
CH2

68982-27-4

0

1

0

1-Naphthaleneacetaldehyde, decahydro-5,5,8atrimethyl-2-oxo-, [1R-(1α,4aβ,8aα)]-

III-12, III-13

4889.

86-87-3

0

1

0

1-Naphthaleneacetic acid

IV.A-3, XXI-3

4890.

132-75-2

1

0

0

1-Naphthaleneacetonitrile

XI-2

4891.

25551-35-3

1

0

0

Naphthalenecarbonitrile

XI-2

4892.

1

0

0

Naphthalenecarbonitrile, alkyl-

XI-2

4893.

1

0

0

Naphthalenecarbonitrile, methyl-

XI-2
{2 isomers)

4894.

86-53-3

1

0

0

1-Naphthalenecarbonitrile

XI-2

4895.

23245-64-9

1

0

0

1-Naphthalenecarbonitrile, 5-nitro-

XI-2

4896.

613-46-7

1

0

0

2-Naphthalenecarbonitrile

4897.

68985-10-4

0

1

0

1-Naphthalenecarboxaldehyde, 3,4,4a,5,6,7,8,8aoctahydro-2,5,5,8a-tetramethyl-, (4aS-trans)-

4898.

31519-22-9

0

1

0

2-Naphthalenecarboxylic acid, 1,4-dihydroxy-

4899.

79886-54-7

0

1

0

1,2-Naphthalenediol, decahydro-2,5,5,8atetramethyl-, [1R-(1α,2β,4aβ,8aα)]-

4900.

37208-05-2

0

1

0

1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro4,4a-dimethyl-6-(1-methylethenyl)-, [1R(1α,3β,4β,4aα,6α)]-

XI-2
III-12

CHO

IV.A-3
II.A-5
II.A-5

OH

CH2

HO
CH3
CH 3

CH3

4901.

114393-99-6

0

1

0

1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro4,4a-dimethyl-6-(1-methylethenyl)-, 3-acetate, [1R(1α,3β,4.

II.A-5, V-3

4902.

65513-74-8

0

1

0

1,3-Naphthalenediol, 1,2,3,4,4a,5,6,7-octahydro-6[1-(hydroxymethyl)ethenyl]-4,4a-dimethyl-,
(1α,3β,4β,4aα,6α)-

4903.

92-44-4

1

0

0

2,3-Naphthalenediol

4904.

27656-76-4

0

1

0

2,3-Naphthalenediol, 1,2α,3β,4,5,6,7,8-octahydro7α-isopropenyl-1α-methyl-

II.A-5

4905.

18178-54-6

1

1

1

2,3-Naphthalenediol, 1,2,3,4,5,6,7,8-octahydro-1methyl-7-(1-methylethenyl)-, [1S-(1α,2β,3α,7β)]{rishitin}

II.A-5

II.A-5

IX.A-22

181

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4906.

CAS No.

S

T

S
T

73496-12-5

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

2,3-Naphthalenediol, decahydro-2,5,5,8atetramethyl-1-(3-methyl-2,4-pentadienyl)-, [1S[1α(E),2α,3β,4aβ,8aα]]-

II.A-5

CH3
CH3

CH3
CH2
OH

H3C

4907.

524-42-5

1

0

0

1,2-Naphthalenedione

OH

CH3

{1,2-naphthoquinone}

IX.B-2

O
O

4908.

117769-22-9

0

1

0

2,3-Naphthalenedione, 4,4a,5,6,7,8-hexahydro1,4a-dimethyl-7-(1-methylethenyl)-

III-13

CH3

CH3

O
H2C
O
CH3

4909.

88125-12-6

0

1

0

2,3-Naphthalenedione, 4,4a,5,6,7,8-hexahydro1,4a-dimethyl-7-(1-methylethenyl)-, (4aS-cis)-

4910.

130-15-4

1

0

0

1,4-Naphthalenedione

4911.

117-80-6

0

1

0

1,4-Naphthalenedione, 2,3-dichloro- {Diclone®}

4912.

73850-17-6

1

0

0

1,4-Naphthalenedione, dimethyl-

IX.B-2

4913.

2197-57-1

1

0

0

1,4-Naphthalenedione, 2,3-dimethyl-

IX.B-2

4914.

482-70-2

1

0

0

1,4-Naphthalenedione, 2,7-dimethyl-

IX.B-2

4915.

68860-42-4

1

1

1

1,4-Naphthalenedione, 2,3-dimethyl-6-(4,8,12trimethyltridecyl)-, (R*,R*)-

IX.B-2

4916.

481-39-0

0

1

0

1,4-Naphthalenedione, 5-hydroxy-

IX.B-2

1

0

0

1,4-Naphthalenedione, methyl-

IX.B-2

{1,4-naphthoquinone}

III-13
IX.B-2

O

O

4917.

IX.B-2, XVIII.B-3,
XXI-3

{juglone}

4918.

58-27-5

1

0

0

1,4-Naphthalenedione, 2-methyl-

IX.B-2

4919.

84-80-0

0

1

0

1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]{Vitamin K1}

IX.B-2

4920.

73850-15-4

1

0

0

1,4-Naphthalenedione, tetramethyl-

IX.B-2

1

0

0

1,4-Naphthalenedione, trimethyl-

IX.B-2

20490-42-0

1

1

1

1,4-Naphthalenedione, 2,3,6-trimethyl-

IX.B-2

4923.

59832-90-5

1

0

0

1,4-Naphthalenedione, 2,6,7-trimethyl-

IX.B-2

4924.

102977-87-7

0

1

0

2-Naphthaleneethanol, 3,4-dihydro-1,5,6-trimethyl-

II.A-5

4925.

52617-99-9

0

1

0

1-Naphthalenemethanol, decahydro-2-hydroxy2,5,5,8a-tetramethyl-, [1S-(1α,2β,4aβ,8aα)]-

II.A-5

4926.

29484-46-6

0

1

0

2-Naphthalenemethanol, 1,2,3,4,4a,8a-hexahydroα,α,4a,8-tetramethyl-, [2S-(2α,4aβ,8aβ)]-

II.A-5

4927.

473-17-6

0

1

0

2-Naphthalenemethanol, 1,2,3,4,4a,8a-hexahydroα,α,4a,8-tetramethyl-, [2R-(2α,4aβ,8aβ)]-

II.A-5

4921.
4922.

182

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

4928.

87797-89-5

0

1

0

2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,5,6tetramethyl-, (R)-

II.A-5

4929.

5986-36-7

0

1

0

2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,5,8tetramethyl-, (R)-

II.A-5

4930.

61263-48-7

0

1

0

2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,5,8tetramethyl-, acetate, (R)-

II.A-5

4931.

87797-88-4

0

1

0

2-Naphthalenemethanol, 1,2,3,4-tetrahydro-α,α,7,8tetramethyl-, (R)-

II.A-5

4932.

121269-01-0

0

1

0

2-Naphthalenemethanol, 3,4-dihydro-1,5,6trimethyl-

II.A-5

4933.

10267-21-7

0

1

0

1-Naphthalenepentanol, decahydro-2-hydroxyγ,2,5,5,8a-pentamethyl-, [1R-[1α(S*),2β,4aβ,8aα]]

II.A-5

4934.

0

1

0

1-Naphthalene-2-pentenol, decahydro-γ,2,5,5,8apentamethyl-

II.A-5

4935.

0

1

0

1-Naphthalene-2-pentenol, 3,4,4a,5,6,7,8,8aoctahydro-γ,2,5,5,8a-pentamethyl-

II.A-5

Name (per CA Collective Index)

Chapter
Table

Selected structures

4936.

596-85-0

0

1

0

1-Naphthalenepropanol, α-ethenyldecahydroα,5,5,8a-tetramethyl-2-methylene-, [1S[1α(S*),4aβ,8aα]]{manool}

II.A-5

4937.

4630-08-4

0

1

0

1-Naphthalenepropanol, α-ethenyldecahydro-2hydroxy-α,2,5,5,8a-pentamethyl-, [1R[1α(S*),2β,4aβ,8aα]]{episclareol}

II.A-5

4938.

515-03-7

0

1

0

1-Naphthalenepropanol, α-ethenyldecahydro-2hydroxy-α,2,5,5,8a-pentamethyl-, [1R[1α(R*),2β,4aβ,8aα]]{sclareol}

II.A-5

4939.

57567-06-3

0

1

0

1-Naphthalenepropanol, α-ethenyldecahydro-7hydroxy-α,5,5,8a- tetramethyl-2-methylene-

II.A-5

4940.

121198-51-4

0

1

0

Naphthalenol, 6,8-dimethyl-

IX.A-22

4941.

121198-52-5

0

1

0

Naphthalenol, 7,8-dimethyl-

IX.A-22

4942.

90-15-3

1

0

0

1-Naphthalenol

OH

{1-naphthol = α-naphthol}

IX.A-0722

OH
8
2

7
6

3
5

4

4943.

40529-54-2

1

0

0

1-Naphthalenol, dimethyl-

IX.A-22

4944.

59534-35-9

1

0

0

1-Naphthalenol, methyl-

IX.A-22

1

0

0

1-Naphthalenol, methyl-nitro-

IX.A-22

4945.
4946.

7469-77-4

1

0

0

1-Naphthalenol, 2-methyl-

4947.

63-25-2

1

1

1

1-Naphthalenol, methylcarbamate
{Sevin®; Carbaryl®}

4948.

529-33-9

1

0

0

1-Naphthalenol, 1,2,3,4-tetrahydro-

4949.

55591-08-7

0

1

0

1-Naphthalenol, 1,2,3,4-tetrahydro-2,5,8-trimethyl-

IX.A-22
OOC-NH-CH3

V-3, XXI-3

II.A-5

OH

II.A-5

183

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

Name (per CA Collective Index)

Chapter
Table

4950.

30316-22-4

1

0

0

1-Naphthalenol, 1,2,3,4-tetrahydro-3,5,8-trimethyl-

II.A-5

4951.

66324-66-1

0

1

0

1-Naphthalenol, 1,2,3,4-tetrahydro-4,5,8-trimethyl-

II.A-5

4952.

67494-23-9

0

1

0

1-Naphthalenol, 1,2,3,4-tetrahydro-8-methyl-2-(1methylethenyl)-, (Z)-(±)

II.A-5

4953.

135-19-3

1

0

0

2-Naphthalenol

4954.

31149-06-1

0

1

0

2-Naphthalenol, 1-[5-(acetyloxy)-3-methyl-3pentenyl]decahydro-2,5,5,8a-tetramethyl-, [1R[1α(E),2β,4aβ,8aα]]-

Selected structures

{2-naphthol = β-naphthol}

IX.A-22, XXI-3

OH

CH3
CH3

II.A-5, V-3

CH3
CH2O-COCH3
OH

H3C

4955.

66890-73-1

0

1

0

CH3

2-Naphthalenol, decahydro-1-(3-hydroxy-3-methyl1,4-pentadienyl)-2,5,5,8a-tetramethyl-, [1R[1α(1E,3S*),2β,4aβ,8aα]]-

II.A-5

OH
H3C
CH2

CH3

CH3

OH
H3C

4956.

66966-02-7

0

1

0

CH3

2-Naphthalenol, decahydro-1-(3-hydroxy-3-methyl1,4-pentadienyl)-2,5,5,8a-tetramethyl-, [1R[1α(1E,3R*),2β,4aβ,8aα]]-

II.A-5

OH
H3C
CH2

CH3

CH3

OH
H3C

4957.

10267-31-9

0

1

0

CH3

2-Naphthalenol, decahydro-1-(5-hydroxy-3-methyl3-pentenyl)-2,5,5,8a-tetramethyl-, [1R[1α(E),2β,4aβ,8aα]]-

II.A-5

CH3
CH3

CH3
CH2OH
OH

H3C

CH3

4958.

22343-28-8

0

1

0

2-Naphthalenol, decahydro-1-(5-hydroxy-3-methyl3-pentenyl)-2,5,5,8a-tetramethyl-, [1R(1α,2β,4aβ,8aα)]-

II.A-5

4959.

53163-43-2

0

1

0

2-Naphthalenol, decahydro-1,2,5,5,8a-pentamethyl, [1R-(1α,2β,4aβ,8aα)]-

II.A-5

4960.

36211-21-9

0

1

0

2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-

CH3
8

5

H3C

2

8a

6

II.A-5

CH3
1

7
4a

4

OH

3

CH3

4961.

49749-17-9

0

1

0

2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-,
(2α,4aα,8aβ)-(±)-

II.A-5

4962.

42569-63-1

1

0

0

2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1(3-methyl-1,3-pentadienyl)-, [1R[1α(1E,3E),2β,4aβ,8aα]]-

II.A-5

184

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

4963.

CAS No.

S

T

S
T

1616-86-0

0

1

0

Name (per CA Collective Index)
2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1(3-methyl-2,4-pentadienyl)-, [1R-(1α,2β,4aβ,8aα)]{Z-abienol}

CH3
CH3

8

0

1

0

2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1(3-methyl-2,4-pentadienyl)-, [1R[1α(E),2β,4aβ,8aα]]-

4

CH 3

II.A-5
CH3

8

0

1

0

2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1(3-methyl-2,4-pentadienyl)-, [1R[1α(Z),2β,4aβ,8aα]]-

4966.

62121-32-8

0

1

0

2-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1[(3-methyl-2-furanyl)methyl]-, [1R(1α,2β,4aβ,8aα)]-

CH3
CH3

1

7

2

8a

OH
3

5
4
CH3

H3C

17990-16-8

CH2

OH
3

5

6

4965.

2

8a

H3C

17990-15-7

II.A-5, XXI-3

CH3
1

7
6

4964.

Chapter
Table

Selected structures

II.A-5

II.A-5

O

CH3

CH3

CH3
OH

H3C

CH3

4967.

82451-46-5

0

1

0

2-Naphthalenol, decahydro-4a,8,8-trimethyl-3methylene-4-(3-methyl-2,4-pentadienyl)-, [2S[2α,4α(E),4aα,8aβ]]-

II.A-5

4968.

82458-63-7

0

1

0

2-Naphthalenol, decahydro-4a,8,8-trimethyl-3methylene-4-(3-methylene-4-pentenyl)-, [2S(2α,4α,4aα,8aβ)]-

II.A-5

4969.

58239-50-2

0

1

0

2-Naphthalenol, decahydro-5,5,8a-trimethyl-, [2R(2α,4aα,8aβ)]-

II.A-5

1

0

0

2-Naphthalenol, dimethyl-

IX.A-22

4970.
4971.

54703-51-4

1

0

0

2-Naphthalenol, 1,8-dimethyl-

IX.A-22

4972.

59534-36-0

1

0

0

2-Naphthalenol, methyl-

IX.A-22

4973.

1076-26-2

1

0

0

2-Naphthalenol, 1-methyl-

IX.A-22

4974.

71369-76-1

1

0

0

2-Naphthalenol, tetrahydro-

4975.

530-91-6

1

0

0

2-Naphthalenol, 1,2,3,4-tetrahydro-

4976.

1125-78-6

1

0

0

2-Naphthalenol, 5,6,7,8-tetrahydro-

IX.A-22

1

0

0

2-Naphthalenol, 5,6,7,8-tetramethyl-

IX.A-22
IX.A-22

4977.

IX.A-22

4978.

73850-18-7

1

0

0

2-Naphthalenol, trimethyl-

4979.

30889-50-0

1

0

0

2-Naphthalenol, 3,5,8-trimethyl-

4980.

17910-08-6

0

1

0

4a(2H)-Naphthalenol, 1,5,6,7,8,8a-hexahydro-4,7dimethyl-1-(1-methylethyl)-, [1S-(1α,4aβ,7α,8aα)]-

IX.A-22
OH
5
4a
7

H3C

1

0

0

1(2H)-Naphthalenone, 3,4-dihydro-

{1-tetralone}

4

1

8

H3 C

529-34-0

II.A-5

CH3

6

4981.

II.A-5

OH

3
2

CH3

III-13

O

185

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

117210-52-3

0

1

0

1(2H)-Naphthalenone, 3,4-dihydro-5-methyl-3-(1methylethenyl)-

III-13

1

0

0

1(2H)-Naphthalenone, 3,4-dihydro-4,5,6-trimethyl-

III-13

4984.

27410-97-5

1

0

0

1(2H)-Naphthalenone, 3,4-dihydro-4,5,7-trimethyl-

III-13

4985.

41720-93-8

0

1

0

1(2H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro-3hydroxy-4,4a-dimethyl-6-(1-methylethenyl)-, [3R(3α,4α,4aβ,6β)]-

III-13

4986.

52811-60-6

0

1

0

1(2H)-Naphthalenone, octahydro-2-hydroxy2,5,5,8a-tetramethyl-

4982.
4983.

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, III-13

O
OH

H3C

CH3
H3C

4987.

55497-93-3

0

1

0

1(2H)-Naphthalenone, octahydro-2-hydroxy2,5,5,8a-tetramethyl-, [2R- (2α,4aα,8aβ)]-

4988.

25487-94-9

0

1

0

1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro2,5,5,8a-tetramethyl-, (4aS-trans)-

CH3

II.A-5, III-13
III-13

O
H3C
CH3

H3C

CH3

4989.

57601-69-1

0

1

0

1(4H)-Naphthalenone, 2-hydroxy-4,4,7-trimethyl-

4990.

117472-47-6

0

1

0

1(4H)-Naphthalenone, 5,6,7,8-tetrahydro-8-methyl5-(1-methylethenyl)-

III-13

4991.

29210-91-1

1

0

0

2(1H)-Naphthalenone, 3,4-dihydro-4,4,7-trimethyl-

III-13

4992.

55733-01-2

0

1

0

2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro3,4,4a,8,8-pentamethyl-, (4aS-trans)-

III-13

4993.

76739-26-9

0

1

0

2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro3,4,4a,8,8-pentamethyl-

III-13

0

1

0

2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-3hydroxy-3,4a,8,8-tetramethyl{2 isomers reported}

0

1

0

2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro3,4a,8,8-tetramethyl-, (4aR-trans){isonordimenone}

4994.

4995.

51020-10-1

III-13, IX.A-22

II.A-5, III-13

III-13

H3C
CH3

H3C

CH3

O

4996.

72446-33-4

0

1

0

2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro3,4a,8,8-tetramethyl-4-(3-oxobutyl)-, (4aS-trans)-

III-13

4997.

14506-68-4

0

1

0

2(1H)-Naphthalenone, 1-(3-hydroxy-3-methyl-4pentenyl)-octahydro-5,5,8a-trimethyl-, [1R[1α(R*),4aβ,8aα]]-

II.A-5, III-13

4998.

57567-07-4

0

1

0

2(1H)-Naphthalenone, 8-(3-hydroxy-3-methyl-4pentenyl)-octahydro-4,4,8a- trimethyl-7methylene-

II.A-5, III-13

4999.

473-08-5

1

1

1

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4adimethyl-7-(1-methylethenyl)-, (4aS-cis){bicyclo[4.4.0]dec-1-en-3-one, 2,6-dimethyl-9isopropenyl-}

5000.

60026-22-4

1

0

0

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-1,4adimethyl-7-(1-methylethenyl)- {6-epicyperone-1}

III-13
O

III-13

186

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

5001.

CAS No.

S

T

S
T

55051-94-0

0

1

0

Name (per CA Collective Index)
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-3hydroxy-4-methyl-6-(1-methylethenyl)-, [3R(3α,4β,4aβ,6α)]-

Chapter
Table

Selected structures

II.A-5, III-13

CH2

CH3
HO

CH3
O

5002.

4674-50-4

0

1

0

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4adimethyl-6-(1-methylethenyl)-, [4R-(4α,4aα,6β)]{bicyclo[4.4.0]dec-1-en-3-one, 5,6-dimethyl-8isopropenyl-}
{nootkatone}

5003.

102977-86-6

0

1

0

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,8dimethyl-7-(1-methylethenyl)-

5004.

38044-00-7

0

1

0

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-

5005.

39815-74-2

0

1

0

2(3H)-Naphthalenone, 4,6,7,8-tetrahydro-4,4,7trimethyl-

CH3

III-13

CH2

CH3

CH3
O

III-13
II.A-5, III-13

4

III-13

5

3

6

2

7

O

5006.

68420-60-0

0

1

0

2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-3hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-, (4aScis)-

II.A-5, III-13

CH3
HO
CH2

O
CH3

CH3

5007.

38043-97-9

1

1

1

2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-4hydroxy-1,4a-dimethyl-7-(1-methylethenyl)-, (4aRcis){1-keto-α-cyperone}

II.A-5, III-13

OH
CH3

CH2

O
CH3

CH3

5008.

0

1

0

2(6H)-Naphthalenone, 3,4,7,8-tetrahydro-4,4,7trimethyl-

4

5

III-13

3

6

2

7

O

5009.

1338-24-5

0

1

0

Naphthenic acids

IV.A-3

5010.

192-65-4

1

0

0

Naphtho[1,2,3,4-def]chrysene
{dibenzo[a,e]pyrene}

I.E-6

5011.

190-99-8

1

0

0

1H-Naphtho[3,2,1,8-defg]chrysene
{1,2,5,6-dibenzopyrene}

I.E-6

5012.

11141-17-6

0

1

0

1H,7H-Naphtho[1,8a,8-bc:4,4a-c’]difuran-3,7adicarboxylic acid, (3S,3aR,4S, 5S,5aR, 5a1R
7aS,8R,10S,10aS)-8-acetoxy3,3a,4,5a,5a1,7a,8,9,10-decahydro-3,5-dihydroxy4-{(1S,3S,7S,8R,9S,11R)-7-hydroxy-9-methyl2,4,10-trioxatetracyclo[6.3.1.03,7.09,11]dodeca-5-en11-yl}-4-methyl-10[(E)-2-methylbut-2-enoyloxy]-,
dimethyl ester
{Azadirachtin® A and B, Neem®}

XXI-3

5013.

1

0

0

Naphthofuran

X-2

5014.

1

0

0

Naphthofuran, dimethyl-

X-2

187

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
5015.

S

T

S
T

1

0

0

Naphthofuran, methyl-

X-2

Name (per CA Collective Index)

Chapter
Table

Selected structures

5016.

234-03-7

1

0

0

Naphtho[1,2-b]furan

X-2

5017.

71607-62-0

1

0

0

Naphtho[1,2-b]furan, dimethyl-

X-2

5018.

25826-63-5

1

0

0

Naphtho[1,2-b]furan, 2-methyl-

5019.

232-95-1

1

0

0

Naphtho[2,1-b]furan

X-2
X-2
O

5020.

5021.

65588-69-4
6790-58-5

0

52811-62-8

0

1

1

0

0

Naphtho[2,1-b]furan, dodecahydro-3a,6,6,9atetramethyl-, [3aR-(3aα,5aβ,9aα,9bβ)]{ambroxide; ambroxyl}
Naphtho[2,1-b]furan-2-ol, dodecahydro-3a,6,6,9atetramethyl{sclaral}

X-2
O

H3C

II.A-5, X-2

CH3

CH3
CH3

O

OH

5022.

30450-17-0

0

1

0

Naphtho[2,1-b]furan-2(1H)-one, decahydro3a,6,6,9a-tetramethyl-, [3aS- (3aα,5aα,9aβ,9bα)]-

5023.

564-20-5

1

1

1

Naphtho[2,1-b]furan-2(1H)-one, decahydro3a,6,6,9a-tetramethyl-, [3aR-(3aα,5aβ,9aα,9bβ)]{1,5,5,9-tetramethyl-13oxatricyclo[8,3,0,0(4,9)]tridecane}
{sclareolide}

5024.

5025.

52811-59-3

1

1

1

Naphtho[2,1-b]furan-2(1H)-one, decahydro3a,6,6,9a-tetramethyl-, [3aR-(3aα,5aβ,9aα,9bβ)]{1,5,5,9-tetramethyl-13oxatricyclo[8,3,0,0(4,9)]tridecane} , labeled with
14
C
{sclareolide-14C}

0

1

0

Naphtho[2,1-b]furan-2(3aH)-one, 4,5,5a,6,7,8,9,9aoctahydro-3a,6,6,9a-tetramethyl-, [3aR(3aα,5aβ,9aα)]-

X-2
H3C

VI-3

CH3

CH3
O
CH3
O

XXV-29

H3C

VI-3

CH3

CH3
O

CH3

O

5026.

56682-25-8

0

1

0

II.A-5, X-2

OH

Naphtho[2,1-b]furan-2-methanol, αethenyldodecahydro-α,3a,6,6,9a-pentamethyl-,
[2R-[2α(R*),3aβ,5aα,9aβ,9bα]]-

H2C
CH3

CH3
O
CH3

H3C

5027.

56711-38-7

0

1

0

Naphtho[2,1-b]furan-2-methanol, αethenyldodecahydro-α,3a,6,6,9a-pentamethyl-,
[2R-[2α(S*),3aβ,5aα,9aβ,9bα]]-

CH3

OH
H2C
CH3

II.A-5, X-2

CH3
O
CH3

H3C

CH3

188

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

5028.

CAS No.

S

T

S
T

56711-39-8

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, X-2

OH

Naphtho[2,1-b]furan-2-methanol, αethenyldodecahydro-α,3a,6,6,9a-pentamethyl-,
[2S-[2α(S*),3aα,5aβ,9aα,9bβ]]-

H2C

CH3

CH3

O
CH3

H3C

5029.

56711-40-1

0

1

0

Naphtho[2,1-b]furan-2-methanol, αethenyldodecahydro-α,3a,6,6,9a-pentamethyl-,
[2S-[2α(R*),3aα,5aβ,9aα,9bβ]]-

CH3

II.A-5, X-2

OH
H2C

CH3

CH3

O
CH3

H3C

5030.

196-42-9

1

0

0

Naphtho[2,1,8-qra]naphthacene

5031.

52811-58-2

0

1

0

3H-Naphtho[2,1-b]pyran-3-one,
4a,5,6,6a,7,8,9,10,10a,10b-decahydro-4a,7,7,10atetramethyl-, [4aR-(4aα,6aβ,10aα,10bβ)]{dehydroambreinolide}

CH3

I.E-6

H3C

VI-3

CH3
CH3
O
CH3
O

5032.

468-84-8

0

1

0

3H-Naphtho[2,1-b]pyran-3-one, dodecahydro4a,7,7,10a-tetramethyl-, [4aR(4aα,6aβ,10aα,10bβ)]{ambreinolide}

VI-3

5033.

5153-92-4

0

1

0

1H-Naphtho[2,1-b]pyran,
4a,5,6,6a,7,8,9,10,10a,10b-decahydro3,4a,7,7,10a-pentamethyl-, [4aR(4aα,6aβ,10aα,10bβ)]-

X-2

5034.

6252-26-2

0

1

0

1H-Naphtho[2,1-b]pyran, dodecahydro3,4a,7,7,10a-pentamethyl-

X-2

5035.

596-84-9

0

1

0

1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro3,4a,7,7,10a-pentamethyl-, [3R(3α,4aβ,6aα,10aβ,10bα)]-

X-2

5036.

59170-14-8

1

1

1

1H-Naphtho[2,1-b]pyran-2-ol, 3ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,
[2S-(2α,3β,4aβ,6aα,10aβ,10bα)]{labd-14-ene, 8,13-epoxy-12α-hydroxy-}
{12α-hydroxy-13-epimanoyl oxide}

CH3

64681-69-2

0

1

0

CH2

CH3
O
CH3
H3C

5037.

II.A-5, X-2

OH

1H-Naphtho[2,1-b]pyran-2-ol, 3ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,
[2R-(2α,3α,4aα,6aβ,10aα,10bβ)]-

CH3

II.A-5, X-2

OH
CH3
CH2

CH3
O
CH3
H3C

CH3

189

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

5038.

CAS No.

S

T

S
T

64681-70-5

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

1H-Naphtho[2,1-b]pyran-2-ol, 3ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,
[2S-(2α,3α,4aβ,6aα,10aβ,10bα)]-

II.A-5, X-2

OH
CH3
CH2

CH3
O
CH3

H3C

5039.

67528-84-1

0

1

0

CH3

1H-Naphtho[2,1-b]pyran-2-ol, 3ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-,
[2R-(2α,3β,4aα,6aβ,10aα,10bβ)]-

II.A-5, X-2

OH
CH3
CH2

CH3
O
CH3

H3C

5040.

37551-73-8

0

1

0

CH3

1H-Naphtho[2,1-b]pyran-2(3H)-one, 3ethenyldecahydro-3,4a,7,7,10a-pentamethyl-, [3S(3α,4aβ,6aα,10aβ,10bα)]-

III-13, X-2

O
CH3
CH2

CH3
O
CH3
H3C

5041.

37551-74-9

0

1

0

CH3

1H-Naphtho[2,1-b]pyran-2(3H)-one, 3ethenyldecahydro-3,4a,7,7,10a-pentamethyl-, [3R(3α,4aα,6aβ,10aα,10bβ)]-

III-13, X-2

O
CH3
CH2

CH3
O
CH3
H3C

CH3

5042.

68985-12-6

0

1

0

1H-Naphtho[2,1-b]pyran-2(3H)-one, 3ethenyldecahydro-3,4a,7,7,10a-pentamethyl-

III-13

5043.

313-80-4

1

0

0

Naphtho[2,1,8-def]quinoline

5044.

1

0

0

Naphtho[2,1,8-def]quinoline, dimethyl-

5045.

1

0

0

Naphtho[2,1,8-def]quinoline, methyl-

XVII.E-6

5046.

1

0

0

Naphtho[2,1,8-def]quinoline, trimethyl-

XVII.E-6

{1-azapyrene}

5047.

215-26-9

1

0

0

Naphtho[1,2-b]triphenylene
{tribenz[a,c,h]anthracene}

5048.

191-37-7

1

0

0

Naphtho[2,1,8,7-klmn]xanthene

XVII.E-6

XVII.E-6

I.E-6

X-2

1

11
10

2

3

9
6

8
7

O

4
5

5049.

1

0

0

Naphthyridine

XVII.E-6

5050.

1

0

0

Naphthyridine, C2-alkyl-

XVII.E-6

5051.

1

0

0

Naphthyridine, 3-butyryl-

XVII.E-6

5052.

1

0

0

Naphthyridine, 3-methyl-

XVII.E-6

190

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

5053.

254-79-5

1

0

0

1,5-Naphthyridine
{1,5-diazanaphthalene; pyrido[3,2-b]pyridine}

XVII.E-6

5054.

18937-71-8

1

0

0

1,5-Naphthyridine, 3-methyl-

XVII.E-6

5055.

253-72-5

1

0

0

1,6-Naphthyridine
{1,6-diazanaphthalene; pyrido[4,3-b]pyridine}

XVII.E-6

5056.

14757-43-8

1

0

0

1,6-Naphthyridine, 3-methyl-

XVII.E-6

5057.

253-69-0

1

0

0

1,7-Naphthyridine
{1,7-diazanaphthalene; pyrido[3,4-b]pyridine}

XVII.E-6

5058.

254-60-4

1

0

0

1,8-Naphthyridine
{1,8-diazanaphthalene; pyrido[2,3-b]pyridine}

XVII.E-6

5059.

14757-45-0

1

0

0

1,8-Naphthyridine, 2,6-dimethyl-

XVII.E-6

5060.

14759-22-9

1

0

0

1,8-Naphthyridine, 3-methyl-

XVII.E-6

5061.

40000-89-3

1

0

0

1,8-Naphthyridin-2(1H)-one, 3-methyl-

XVII.E-6

5062.

8002-65-1

0

1

0

Neem oil

5063.

7440-00-8

1

1

1

Neodymium

Ne

5064.

7440-02-0

1

1

1

Nickel

Ni

XX-5

5065.

12612-55-4

1

0

0

Nickel carbonyl

Ni(CO)4

XX-6

5066.

7440-03-1

1

0

0

Niobium

Nb

XX-5

5067.

14797-55-8

1

1

1

Nitrate

NO3-

XX-6

5068.

125239-87-4

1

0

0

Nitrate, peroxy-

5069.

7697-37-2

1

1

1

Nitric acid

HO-NO2

XX-6

5070.

7757-79-1

0

1

0

Nitric acid, potassium salt

KO-NO2

XX-6

5071.

98-58-3

1

0

0

Nitric acid, methyl ester

H3C-O-NO2

5072.

7631-99-4

0

1

0

Nitric acid, sodium salt

NaO-NO2

Name (per CA Collective Index)

Chapter
Table

Selected structures

XXI-3
XX-5

XX-6

V-3
XX-6

-1

5073.

14797-65-0

1

1

1

Nitrite

5074.

19059-14-4

1

0

0

Nitrite, peroxy-

1

0

0

Nitrite radical

O-N=O

5076.

7727-37-9

1

1

1

Nitrogen

N2

XX-5

5077.

11104-93-1

1

0

0

Nitrogen oxide

5078.

10024-97-2

1

1

1

Nitrogen oxide

N2O

XIX-5

5079.

10102-43-9

1

1

1

Nitrogen oxide

{nitric oxide}

5080.

10102-44-0

1

0

0

Nitrogen oxide

{nitrogen dioxide}

1

1

1

Nitrogen oxides

1

0

0

Nitrosamide

1

1

1

N-Nitrosamines

5075.

5081.
5082.

35576-91-1

5083.

O=N-O

XX-6
XX-6
XXVII-1

XIX-5
{nitrous oxide}

NO

XXVII-1

NO2

XIX-5

N2O + NO + NO2

XIX-5

H2N-N=O

XIII-1

{GENERAL DISCUSSION}

XV

5084.

7782-77-6

1

0

0

Nitrous acid

HO-N=O

5085.

109-95-5

1

0

0

Nitrous acid, ethyl ester

H3C-CH2-ON=O

XX-6
V-3

191

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

624-91-9

1

1

1

Nitrous acid, methyl ester

H3C-ON=O

5087.

630-03-5

1

1

1

Nonacosane

H3C-(CH2)27-CH3

I.A-10

5088.

1560-75-4

1

1

1

Nonacosane, 2-methyl-

(H3C)2=CH-(CH2)26-CH3

I.A-10

5089.

14167-67-0

1

1

1

Nonacosane, 3-methyl-

H3C-CH2-CH(CH3)-(CH2)25-CH3

I.A-10

5090.

4250-38-8

1

0

0

Nonacosanoic acid

H3C-(CH2)27-COOH

IV.A-3

5091.

121878-05-5

1

1

1

Nonacosanoic acid, docosyl ester

H3C-(CH2)27-COO-(CH2)21-CH3

V-3

5092.

121877-94-9

1

1

1

Nonacosanoic acid, eicosyl ester

H3C-(CH2)27-COO-(CH2)19-CH3

V-3

5093.

39815-65-1

5086.

Name (per CA Collective Index)

Chapter
Table

Selected structures

V-3

0

1

0

Nonacosanoic acid, 4-(2-hydroxyethyl)phenyl ester

5094.

0

1

0

1-Nonacosanol

H3C-(CH2)27-CH2OH

II.A-5

5095.

1

0

0

1-Nonacosene

H2C=CH-(CH2)26-CH3

I.B-1

5096.

1

0

0

1-Nonacosene, 2-methyl-

H2C=C(CH3)-(CH2)26-CH3

I.B-1

5097.

1

0

0

2-Nonacoscene, (Z)-

H3C-CH=CH-(CH2)25-CH3

I.B-1

5098.

1

0

0

2-Nonacoscene, (E)-

5099.

1

0

0

2-Nonacosene, 2-methyl-

H3C-C(CH3)=CH-(CH2)25-CH3

5100.

1

0

0

2-Nonacosene, 27-methyl-, (Z)-

H3C-CH=CH-(CH2)23-CH(CH3)-CH2-CH3
I.B-1

5101.

1

0

0

2-Nonacosene, 27-methyl-, (E)-

I.B-1

5102.

1

0

0

2-Nonacosene, 28-methyl-, (Z)-

5103.

1

0

0

2-Nonacosene, 28-methyl-, (E)-

5104.

629-92-5

V-3

I.B-1

H3C-CH=CH-(CH2)24-CH(CH3)2

I.B-1

I.B-1
I.B-1

1

1

1

Nonadecane

5105.

1

0

0

Nonadecane, methyl-

H3C-(CH2)17-CH3

I.A-10

5106.

0

1

0

Nonadecane, 3-methyl-

H3C-(CH2)15-CH(CH3)-CH2-CH3

I.A-10
IV.A-3

I.A-10

5107.

646-30-0

1

1

1

Nonadecanoic acid

H3C-(CH2)17-COOH

5108.

42232-76-8

1

1

1

Nonadecanoic acid, docosyl ester

H3C-(CH2)17-COO-(CH2)21-CH3

V-3

5109.

42232-66-6

1

1

1

Nonadecanoic acid, dodecyl ester

H3C-(CH2)17-COO-(CH2)11-CH3

V-3

5110.

36610-54-5

1

1

1

Nonadecanoic acid, eicosyl ester

H3C-(CH2)17-COO-(CH2)19-CH3

V-3

5111.

42232-75-7

1

1

1

Nonadecanoic acid, heneicosyl ester

H3C-(CH2)17-COO-(CH2)20-CH3

V-3

1

1

1

Nonadecanoic acid, heptacosyl ester

H3C-(CH2)17-COO-(CH2)26-CH3

V-3

1

1

1

Nonadecanoic acid, heptadecyl ester

H3C-(CH2)17-COO-(CH2)16-CH3

V-3

1

1

1

Nonadecanoic acid, hexacosyl ester

H3C-(CH2)17-COO-(CH2)25-CH3

V-3

5112.
5113.

36610-51-2

5114.
5115.

36610-50-1

1

1

1

Nonadecanoic acid, hexadecyl ester

H3C-(CH2)17-COO-(CH2)15-CH3

5116.

1731-94-8

0

1

0

Nonadecanoic acid, methyl ester

H3C-(CH2)17-COO-CH3

V-3

5117.

36610-53-4

1

1

1

Nonadecanoic acid, nonadecyl ester

H3C-(CH2)17-COO-(CH2)18-CH3

V-3

5118.

36610-52-3

1

1

1

Nonadecanoic acid, octadecyl ester

H3C-(CH2)17-COO-(CH2)17-CH3

V-3

1

1

1

Nonadecanoic acid, pentacosyl ester

H3C-(CH2)17-COO-(CH2)24-CH3

V-3

5119.

V-3

5120.

36610-49-8

1

1

1

Nonadecanoic acid, pentadecyl ester

H3C-(CH2)17-COO-(CH2)14-CH3

V-3

5121.

121877-66-5

1

1

1

Nonadecanoic acid, tetracosyl ester

H3C-(CH2)17-COO-(CH2)23-CH3

V-3

5122.

36610-48-7

1

1

1

Nonadecanoic acid, tetradecyl ester

H3C-(CH2)17-COO-(CH2)13-CH3

V-3

5123.

42232-77-9

1

1

1

Nonadecanoic acid, tricosyl ester

H3C-(CH2)17-COO-(CH2)22-CH3

V-3

5124.

36610-47-6

1

1

1

Nonadecanoic acid, tridecyl ester

H3C-(CH2)17-COO-(CH2)12-CH3

V-3

5125.

53254-53-8

1

1

1

Nonadecanoic acid, 17-methyl-

H3C-CH2-CH(CH3)-(CH2)15-COOH IV.A-3

192

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

5126.

121877-54-1

1

1

1

Nonadecanoic acid, 17-methyl-, heneicosyl ester

H3C-CH2-CH(CH3)-(CH2)15-COO-(CH2)20-CH3
V-3

5127.

121877-69-8

1

1

1

Nonadecanoic acid, 17-methyl-, tetracosyl ester

H3C-CH2-CH(CH3)-(CH2)15-COO-(CH2)23-CH3
V-3

5128.

121877-59-6

1

1

1

Nonadecanoic acid, 17-methyl-, tricosyl ester

H3C-CH2-CH(CH3)-(CH2)15-COO-(CH2)22-CH3
V-3

5129.

6250-72-2

1

1

1

Nonadecanoic acid, 18-methyl-

(H3C)2=CH-(CH2)16-COOH

5130.

145090-31-9

0

1

0

Nonadecanoic acid, 18-methyl-, 2-(acetyloxy)-1(hydroxymethyl)ethyl ester

1

1

1

Nonadecanoic acid, 18-methyl-, eicosyl ester

5131.

Name (per CA Collective Index)

Chapter
Table

Selected structures

IV.A-3
V-3

(H3C)2=CH-(CH2)16-COO-(CH2)19-CH3
V-3

5132.

150643-41-7

0

1

0

Nonadecanoic acid, 18-methyl-, ester with 1,2,3propanetriol monoacetate mono(16methylheptadecanoate)

5133.

121877-51-8

1

1

1

Nonadecanoic acid, 18-methyl-, heneicosyl ester

V-3

(H3C)2=CH-(CH2)16-COO-(CH2)20-CH3
V-3

5134.

121877-37-0

1

1

1

Nonadecanoic acid, 18-methyl-, nonadecyl ester

(H3C)2=CH-(CH2)16-COO-(CH2)18-CH3

5135.

71607-90-4

1

0

0

Nonadecanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester, [R-[R*,R*-(E)]]-

V-3

5136.

52783-43-4

1

0

0

Nonadecanol

II.A-5

1

1

1

1-Nonadecanol

5138.

6809-52-5

1

1

1

5,9,13,17-Nonadecatetraen-2-one, 6,10,14,18tetramethyl-

5139.

27400-77-7

1

0

0

Nonadecene

5140.

18435-45-5

V-3

5137.

H3C-(CH2)17-CH2OH

II.A-5
III-13

H-(CH2)n-CH=CH-(CH2)(17-n)-H

I.B-1

1

1

1

1-Nonadecene

H2C=CH-(CH2)16-CH3

I.B-1

5141.

1

0

0

1-Nonadecene, 2-methyl-

H2C=C(CH3)-(CH2)16-CH3

I.B-1

5142.

1

0

0

2-Nonadecene, (Z)-

H3C-CH=CH-(CH2)15-CH3

5143.

1

0

0

2-Nonadecene, (E)-

5144.

1

0

0

2-Nonadecene, 2-methyl-

H3C-C(CH3)=CH-(CH2)15-CH3

5145.

1

0

0

2-Nonadecene, 17-methyl-, (Z)-

H3C-CH=CH-(CH2)13-CH(CH3)-CH2-CH3
I.B-1

5146.

1

0

0

2-Nonadecene, 17-methyl-, (E)-

I.B-1

5147.

1

0

0

2-Nonadecene, 18-methyl-, (Z)-

5148.

1

0

0

2-Nonadecene, 18-methyl-, (E)-

I.B-1

1

1

1

2,4-Nonadienal, (E,E)-

III-12

0

1

0

2,4-Nonadienal, 6-methyl-

III-12

5149.

6750-03-4
5910-87-2

5150.
5151.

0

1

0

2,4-Nonadienal, 8-methyl-

26370-28-5

0

1

0

2,6-Nonadienal

5153.

557-48-2

0

1

0

2,6-Nonadienal, (E,Z)-

5154.

129777-21-5

0

1

0

2,6-Nonadienal, 2-methyl-5-(1-methylethyl)-8-oxo-,
(E,E)-(+)-

5155.

71030-52-9

0

1

0

Nonadiene

0

1

0

Nonadienoic acid

5152.

5156.

I.B-1
I.B-1
I.B-1

H3C-CH=CH-(CH2)14-CH(CH3)2

I.B-1

III-12
{leaf aldehyde violet}

III-12
III-12
III-12, III-13
I.B-1
IV.A-3

193

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
5157.

S

T

S
T

0

1

0

2,4-Nonadienoic acid, 2,3-dimethyl-

Name (per CA Collective Index)

Chapter
Table

Selected structures

IV.A-3

5158.

60026-10-0

0

1

0

2,6-Nonadienoic acid

IV.A-3

5159.

23605-13-2

0

1

0

2,6-Nonadienoic acid, (E,Z)-

IV.A-3

5160.

70898-29-2

0

1

0

2,7-Nonadienoic acid, (E,Z)-

IV.A-3

0

1

0

4,6-Nonadienoic acid

IV.A-3

5161.
5162.

7786-44-9

0

1

0

2,6-Nonadien-1-ol

II.A-5

5163.

28069-72-9

0

1

0

2,6-Nonadien-1-ol, (E,Z)-

II.A-5

5164.

56805-23-3

0

1

0

3,6-Nonadien-1-ol

II.A-5

5165.

53046-97-2

0

1

0

3,6-Nonadien-1-ol, (Z,Z)-

II.A-5

5166.

38713-12-1

0

1

0

3,7-Nonadien-1-ol, 4,8-dimethyl- {homogeraniol}

II.A-5

5167.

459-88-1

0

1

0

3,7-Nonadien-1-ol, 4,8-dimethyl-, (E)-

II.A-5

5168.

150405-75-7

0

1

0

6,8-Nonadien-2-ol, 8-methyl-5-(3-methylbutyl)-

II.A-5

5169.

40525-38-0

1

1

1

6,8-Nonadien-2-ol, 8-methyl-5-(1-methylethyl){solanol}
{solanol isomer}

II.A-5

0

1

0

3,7-Nonadien-2-one, 4,8-dimethyl-

III-13

64130-24-1
5170.
5171.
5172.

123695-65-8

5173.

0

1

0

3,8-Nonadien-2-one, 4,8-dimethyl-

III-13

1

0

0

5,7-Nonadien-2-one, 8-hydroxy-5-(1-methylethyl)-,
(E,Z)-

III-13

1

1

1

5,7-Nonadien-2-one, 8-methyl-5-(1-methylethyl){isosolanone}

III-13

5174.

60714-16-1

0

1

0

6,8-Nonadien-2-one, 6-methyl-5-(1-methylethenyl)-

III-13

5175.

2278-53-7

0

1

0

6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-,
[R-(E)]-

III-13

5176.

1937-54-8

1

1

1

6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-,
[S-(E)]{solanone}

5177.

54868-48-3

0

1

0

6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-,
(E)-

5178.

124-19-6

1

1

1

Nonanal

5179.

111-84-2

1

1

1

Nonane

1

0

0

Nonane, 4-acetyl-2,6,8-trimethyl-

5181.

871-83-0

1

0

0

Nonane, 2-methyl-

5182.

51655-64-2

1

0

0

Nonane, 3-methylene-

5183.

123-99-9

1

1

1

Nonanedioic acid

5180.

{pelargonaldehyde}

III-13
O

III-13
H3C-(CH2)7-CH=O

III-12

H3C-(CH2)7-CH3

I.A-10
III-13
I.A-10
I.B-1

{azelaic acid}

5184.

3937-56-2

0

1

0

1,9-Nonanediol

5185.

55023-56-8

1

1

1

2,8-Nonanediol, 5-(1-methylethyl)-

5186.

0

1

0

2,5-Nonanedione

5187.

0

1

0

2,7-Nonanedione, 8-hydroxy-8-methyl-5-(1methylethyl)-

HOOC-(CH2)7-COOH

IV.A-3

HOCH2-(CH2)7-CH2OH

II.A-5
II.A-5
III-13
II.A-5, III-13

194

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

5188.

CAS No.

S

T

S
T

55023-57-9

1

1

1

Name (per CA Collective Index)
2,8-Nonanedione, 5-(1-methylethyl){norsolanadione}

Chapter
Table

Selected structures

III-13
O
O

5189.

38284-28-5

0

1

0

2,5,8-Nonanetrione

5190.

112-05-0

1

1

1

Nonanoic acid

5191.

123-29-5

0

1

0

Nonanoic acid, ethyl ester

H3C-(CH2)7-COO-C2H5

V-3

5192.

1731-84-6

0

1

0

Nonanoic acid, methyl ester

H3C-(CH2)7-COO-CH3

V-3

5193.

41653-89-8

0

1

0

Nonanoic acid, 7-methyl-

5194.

6064-52-4

0

1

0

Nonanoic acid, 4-oxo-

5195.

143-08-8

1

1

1

1-Nonanol

1

0

0

4-Nonanol, 2,6,8-trimethyl-

5196.

III-13
{pelargonic acid}

H3C-(CH2)7-COOH

IV.A-3

IV.A-3
III-13, IV.A-3
H3C-(CH2)7-CH2OH

II.A-5
II.A-5

5197.

821-55-6

1

1

1

2-Nonanone

5198.

58002-07-6

0

1

0

2-Nonanone, 6,7-epoxy-8-hydroxy-5-(1methylethyl)-

III-13

5199.

55023-54-6

0

1

0

2-Nonanone, 8-hydroxy-5-(1-methylethyl)-

III-13

5200.

1

0

0

4-Nonanone, 2,6,8-trimethyl

III-13

5201.

0

1

0

5-Nonanone, 2,8-dimethyl-7,8-epoxy-

III-13

0

1

0

2,4,6,8-Nonatetraen-1-ol, 3,7-dimethyl-9-(2,6,6trimethyl-1-cyclohexen-1-yl)-, (all-E){retinol}

II.A-5

5203.

1

1

1

Nonatriacontane

5204.

0

1

0

3,5,7-Nonatrien-2-one

5202.

68-26-8

5205.

2463-53-8

1

1

1

2-Nonenal

5206.

18829-56-6

0

1

0

2-Nonenal, (E)-

0

1

0

2-Nonenal, 2,3-dimethyl-8-oxo-

0

1

0

6-Nonenal, (Z)-

1

0

0

1-Nonene

5207.
5208.

2277-19-2

5209.
5210.

H3C-(CH2)6-CO-CH3

III-13

H3C-(CH2)37-CH3

I.A-10
III-13

H3C-(CH2)5-CH=CH-CH=O

III-12
III-12
III-12, III-13
III-12

H3C-(CH2)6-CH=CH2

I.B-1

H3C-(CH2)4-CH=CH-CH=(CH3)2

I.B-1

1

0

0

2-Nonene, 3-methyl-

5211.

53966-53-3

1

0

0

3-Nonene, 2-methyl-

I.B-1

5212.

55023-53-5

1

1

1

3-Nonene-2,8-diol, 5-(1-methylethyl)-

II.A-5

5213.

38372-56-4

1

1

1

3-Nonene-2,8-dione

{norsolanadione}

III-13

5214.

60619-46-7
35953-21-0

1

1

1

3-Nonene-2,8-dione, 5-(1-methylethyl)-, [S-(E)]{oxysolanone}

III-13

5215.

37822-76-7

0

1

0

Nonenoic acid, methyl ester

5216.

3760-11-0

0

1

0

2-Nonenoic acid

5217.

14812-03-4

0

1

0

2-Nonenoic acid, (E)-

IV.A-3

5218.

4124-88-3

0

1

0

3-Nonenoic acid

IV.A-3

5219.

41653-98-9

0

1

0

3-Nonenoic acid, (Z)-

IV.A-3

5220.

41653-99-0

0

1

0

6-Nonenoic acid, (Z)-

IV.A-3

5221.

31642-67-8

0

1

0

8-Nonenoic acid

5222.

31502-14-4

0

1

0

2-Nonen-1-ol

5223.

10340-23-5

0

1

0

3-Nonen-1-ol, (Z)-

V-3
H3C-(CH2)5-CH=CH-COOH

IV.A-3

IV.A-3
H3C-(CH2)5-CH=CH-CH2OH

II.A-5
II.A-5

195

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

5224.

68985-18-2

0

1

0

2-Nonen-4-one, 3-methyl-, (E)-

5225.

65017-85-8

0

1

0

2-Nonen-4-one, 8-hydroxy-3-methyl-, (E)-

II.A-5, III-13

0

1

0

5-Nonen-2-one, 8-hydroxy-8-methyl-5-(1methylethyl)-

II.A-5, III-13

5226.

Name (per CA Collective Index)

Chapter
Table

Selected structures

III-13

5227.

55023-59-1

0

1

0

6-Nonen-2-one, 8-hydroxy-8-methyl-5-(1methylethyl)-

II.A-5, III-13

5228.

57934-86-8

0

1

0

6-Nonen-2-one, 8-hydroxy-8-methyl-5-(1methylethyl)-, (E)-(±)-

II.A-5, III-13

5229.

55023-52-4

0

1

0

6-Nonen-2-one, 8-hydroxy-5-(1-methylethyl)-

II.A-5, III-13

5230.

77288-95-0

0

1

0

6-Nonen-2-one, 8,9-dihydroxy-8-methyl-5-(1methylethyl)-, [R-[R*,S*-(E)]]-

II.A-5, III-13

5231.

77288-96-1

0

1

0

6-Nonen-2-one, 8,9-dihydroxy-8-methyl-5-(1methylethyl)-, [S-[R*,R*-(E)]]-

II.A-5, III-13

5232.

3452-09-3

1

0

0

1-Nonyne

5233.

18444-66-1

0

1

0

19-Norlanosta-1,5,23-triene-3,11,22-trione, 25(acetyloxy)-2,16,20-trihydroxy-9-methyl-,
(9β,10α,16α,23E)-

II.A-5, III-13, V-3

5234.

17278-28-3

0

1

0

19-Norlanosta-5,23-diene-2,11,22-trione, 25(acetyloxy)-3,16,20-trihydroxy-9-methyl-,
(3α,9β,10α,16α,23E)-

II.A-5, III-13, V-3

5235.

89647-62-1

0

1

0

19-Norlanosta-5,23-diene-2,11,22-trione, 25(acetyloxy)-3,16,20-trihydroxy-9-methyl-,
(3β,9β,10α,16α,23E)-

II.A-5, III-13, V-3

5236.

5157-09-5

0

1

0

Norleucine

5237.

9026-81-7

0

1

0

Nuclease

XXII-2

5238.

9003-98-9

0

1

0

Nuclease, deoxyribo-

XXII-2

5239.

9055-11-2

0

1

0

Nuclease, endo-

XXII-2

5240.

59977-50-3

0

1

0

Nuclease, mammalian deoxyribonucleate-nicking
endo-

XXII-2

5241.

9001-99-4

0

1

0

Nuclease, ribo-

XXII-2

5242.

9025-44-9

0

1

0

Nucleosidase

XXII-2

5243.

9033-33-4

0

1

0

Nucleotidase

XXII-2

5244.

9012-90-2

0

1

0

Nucleotidyltransferase, deoxyribonucleate

XXII-2

5245.

9068-38-6

0

1

0

Nucleotidyltransferase, deoxyribonucleate, RNAdependent

XXII-2

5246.

9014-12-4

0

1

0

Nucleotidyltransferase, polyribonucleotide

XXII-2

5247.

9014-24-8

0

1

0

Nucleotidyltransferase, ribonucleate

XXII-2

5248.

9026-28-2

0

1

0

Nucleotidyltransferase, ribonucleate, RNAdependent

XXII-2

5249.

66328-00-5

1

0

0

2,6,10,14,18,22,26-Octacosaheptaene,
2,6,10,14,18,22,26-heptamethyl-, (all-E)-

5250.

630-02-4

1

1

1

Octacosane

H3C-(CH2)26-CH3

I.A-10

5251.

1560-98-1

1

1

1

Octacosane, 2-methyl-

(H3C)2=CH-(CH2)25-CH3

I.A-10

5252.

65820-58-8

1

1

1

Octacosane, 3-methyl-

H3C-CH2-CH(CH3)-(CH2)24-CH3

I.A-10

5253.

506-48-9

1

1

1

Octacosanoic acid

H3C-(CH2)26-COOH

IV.A-3

5254.

121878-02-2

1

1

1

Octacosanoic acid, docosyl ester

H3C-(CH2)26-COO-(CH2)21-CH3

HC≡C-(CH2)6-CH3

{2-aminohexanoic acid}

I.B-1

H3C-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2

I.B-1

196

V-3

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
S

T

S
T

1

1

1

1

1

1

1

1

5259.
5260.

CAS No.
5255.
5256.

121877-91-6

5257.
5258.

121877-95-0

5261.
5262.

Chapter
Table

Octacosanoic acid, dodecyl ester

H3C-(CH2)26-COO-(CH2)11-CH3

V-3

1

Octacosanoic acid, eicosyl ester

H3C-(CH2)26-COO-(CH2)19-CH3

V-3

1

Octacosanoic acid, ester with olean-12-en-3-ol,
(3β){β-amyrenyl octacosanoate)

1

1

Octacosanoic acid, heneicosyl ester

H3C-(CH2)26-COO-(CH2)20-CH3

V-3

1

1

1

Octacosanoic acid, heptacosyl ester

H3C-(CH2)26-COO-(CH2)26-CH3

V-3

1

1

1

Octacosanoic acid, heptadecyl ester

H3C-(CH2)26-COO-(CH2)16-CH3

V-3

V-3

1

1

1

Octacosanoic acid, hexacosyl ester

H3C-(CH2)26-COO-(CH2)25-CH3

V-3

80756-16-7

1

1

1

Octacosanoic acid, hexadecyl ester

H3C-(CH2)26-COO-(CH2)15-CH3

V-3

1

1

1

Octacosanoic acid, nonadecyl ester

H3C-(CH2)26-COO-(CH2)18-CH3

V-3

95415-29-5

1

1

1

Octacosanoic acid, octadecyl ester

H3C-(CH2)26-COO-(CH2)17-CH3

V-3

1

1

1

Octacosanoic acid, pentacosyl ester

H3C-(CH2)26-COO-(CH2)24-CH3

V-3

5263.
5264.

Selected structures

Name (per CA Collective Index)

5265.
5266.

1

1

1

Octacosanoic acid, pentadecyl ester

H3C-(CH2)26-COO-(CH2)14-CH3

V-3

5267.

80252-40-0

1

1

1

Octacosanoic acid, tetracosyl ester

H3C-(CH2)26-COO-(CH2)23-CH3

V-3

5268.

28570-28-7

1

1

1

Octacosanoic acid, tetradecyl ester

H3C-(CH2)26-COO-(CH2)13-CH3

V-3

1

1

1

Octacosanoic acid, tricosyl ester

H3C-(CH2)26-COO-(CH2)22-CH3

V-3
V-3

5269.
5270.

1

1

1

Octacosanoic acid, tridecyl ester

H3C-(CH2)26-COO-(CH2)12-CH3

5271.

121878-04-4

1

1

1

Octacosanoic acid, 26-methyl-, docosyl ester

H3C-CH2-CH(CH3)-(CH2)24-COO-(CH2)21-CH3
V-3

5272.

557-61-9

1

1

1

1-Octacosanol

H3C-(CH2)26-CH2OH

0

1

0

1-Octacosanol, 26-methyl-

5273.
5274.

{montanyl alcohol}

II.A-5
II.A-5

0

1

0

1-Octacosanol, 27-methyl-

1

0

0

1-Octacosene

H3C-(CH2)25-CH=CH2

I.B-1

5276.

1

0

0

1-Octacosene, 2-methyl-

H2C=C(CH3)-(CH2)25-CH3

I.B-1

5277.

1

0

0

2-Octacosene, (Z)-

H3C-CH=CH-(CH2)24-CH3

I.B-1

5278.

1

0

0

2-Octacosene, (E)-

5279.

1

0

0

2-Octacosene, 2-methyl-

H3C-C(CH3)=CH-(CH2)24-CH3

5280.

1

0

0

2-Octacosene, 26-methyl-, (Z)-

H3C-CH=CH-(CH2)23-CH(CH3)-CH2-CH3
I.B-1

5281.

1

0

0

2-Octacosene, 26-methyl-, (E)-

5282.

1

0

0

2-Octacosene, 27-methyl-, (Z)-

5275.

18835-34-2

5283.

II.A-5

I.B-1
I.B-1

I.B-1
H3C-CH=CH-(CH2)23-CH(CH3)2

I.B-1

1

0

0

2-Octacosene, 27-methyl-, (E)-

5284.

26764-25-0

1

0

0

Octadecadienoic acid

IV.A-3

I.B-1

5285.

28984-77-2

0

1

0

Octadecadienoic acid, (Z,Z)-

IV.A-3

5286.

97145-16-9

0

1

0

Octadecadienoic acid, 1-[[[(2aminoethoxy)hydroxyphosphinyl]oxy]methyl]-1,2ethanediyl ester, (all-Z)-

V-3

5287.

97190-11-9

0

1

0

Octadecadienoic acid, ester with 1,2,3-propanetriol
1-(2-aminoethyl hydrogen phosphate)
hexadecanoate

V-3

5288.

97190-13-1

0

1

0

Octadecadienoic acid, ester with 1,2,3-propanetriol
1-(2-aminoethyl hydrogen phosphate)
octadecanoate, (Z,Z)-

V-3

5289.

28061-47-4

0

1

0

Octadecadienoic acid, methyl ester

V-3

197

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

5290.

97210-24-7

0

1

0

Octadecadienoic acid, monoester with 1,2,3propanetriol 1,1'-(hydrogen phosphate) mono-3hexadecenoate, [R-[R*,S*-(E)]]-

5291.

60-33-3

1

1

1

9,12-Octadecadienoic acid, (Z,Z)-

{linoleic acid}

IV.A-3

5292.

506-21-8

1

1

1

9,12-Octadecadienoic acid, (E,E)- {linoleic acid}

H3C-(CH2)4-CH=CH-CH2-CH=CH-(CH2)7COOH
IV.A-3

5293.

26836-35-1

0

1

0

9,12-Octadecadienoic acid (Z,Z)-, ester with 1,2,3propanetriol monohexadecanoate mono[(Z)-9octadecenoate]

5294.

544-35-4

0

1

0

9,12-Octadecadienoic acid (Z,Z)-, ethyl ester
{ethyl linoleate}

5295.

4546-59-2

0

1

0

9,12-Octadecadienoic acid, 18-hydroxy-, (Z,Z)-

5296.

2462-85-3

0

1

0

9,12-Octadecadienoic acid, methyl ester

5297.

112-63-0

1

1

1

9,12-Octadecadienoic acid (Z,Z)-, methyl ester
{methyl linoleate}

H3C-(CH2)4-CH=CH-CH2-CH=CH-(CH2)7COO-CH3
V-3

5298.

26836-38-4

0

1

0

9,12-Octadecadienoic acid (Z,Z)-, monoester with
1,2,3-propanetriol monooctadecanoate mono-9octadecenoate, (Z)-

V-3

5299.

28880-78-6

0

1

0

9,12-Octadecadienoic acid (Z,Z)-, monoester with
1,2,3-propanetriol bis[(Z)-9-octadecenoate]

V-3

5300.

34521-51-2

0

1

0

9,12-Octadecadienoic acid (Z,Z)-, monoester with
1,2,3-propanetriol dioctadecanoate

V-3

5301.

70495-60-2

1

1

1

9,12-Octadecadienoic acid (Z,Z)-,
3,7,11,15,19,23,27,31,35-nonamethyl2,6,10,14,18,22,26,30,34-hexa-triacontanonaenyl
ester

V-3

5302.

53950-59-7

1

0

0

9,12-Octadecadienoic acid (Z,Z)-, 3,7,11,15tetramethyl-2-hexadecenyl ester, [R-[R*,R*-(E)]]-

V-3

5303.

506-43-4

0

1

0

9,12-Octadecadien-1-ol, (Z,Z)-

5304.

56847-03-1

1

0

0

Octadecadiynoic acid, methyl ester

5305.

593-45-3

1

1

1

Octadecane

H3C-(CH2)16-CH3

I.A-10

5306.

1560-88-9

0

1

0

Octadecane, 2-methyl-

H3C-(CH2)15-CH=(CH3)2

I.A-10

0

1

0

Octadecane, 3-methyl-

H3C-(CH2)14-CH(CH3)-CH2-CH3

5308.

554-62-1

0

1

0

1,3,4-Octadecanetriol, 2-amino-, [2S(2R*,3R*,4S*)]-

5309.

57-11-4

1

1

1

Octadecanoic acid

5310.

22413-03-2

1

1

1

Octadecanoic acid, docosyl ester

H3C-(CH2)16-COO-(CH2)21-CH3

V-3

5311.

5303-25-3

1

1

1

Octadecanoic acid, dodecyl ester

H3C-(CH2)16-COO-(CH2)11-CH3

V-3

5312.

22413-02-1

1

1

1

Octadecanoic acid, eicosyl ester

H3C-(CH2)16-COO-(CH2)19-CH3

V-3

5313.

111-61-5

1

1

1

Octadecanoic acid, ethyl ester

H3C-(CH2)16-COO-CH2-CH3

V-3

5314.

42232-59-7

1

1

1

Octadecanoic acid, heneicosyl ester

H3C-(CH2)16-COO-(CH2)20-CH3

V-3

5315.

121877-78-9

1

1

1

Octadecanoic acid, heptacosyl ester

H3C-(CH2)16-COO-(CH2)26-CH3

V-3

5316.

18299-82-6

1

1

1

Octadecanoic acid, heptadecyl ester

H3C-(CH2)16-COO-(CH2)16-CH3

V-3

5317.

58886-94-5

1

1

1

Octadecanoic acid, hexacosyl ester

H3C-(CH2)16-COO-(CH2)25-CH3

V-3

5318.

1190-63-2

1

1

1

Octadecanoic acid, hexadecyl ester

H3C-(CH2)16-COO-(CH2)15-CH3

V-3

5319.

1330-70-7

0

1

0

Octadecanoic acid, hydroxy-

5320.

3155-42-8

0

1

0

Octadecanoic acid, 18-hydroxy-

5307.

Name (per CA Collective Index)

Chapter
Table

Selected structures

V-3

V-3

H3C-(CH2)4-CH=CH-CH2-CH=CH-(CH2)7COO-C2H5
V-3
IV.A-3
V-3

II.A-5
V-3

{stearic acid}

{ethyl stearate}

I.A-10

II.A-5, XII-2
H3C-(CH2)16-COOH

IV.A-3

IV.A-3
HOCH2-(CH2)16-COOH

IV.A-3

198

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

5321.

112-61-8

1

1

1

Octadecanoic acid, methyl ester

H3C-(CH2)16-COO-CH3

V-3

5322.

121877-86-9

1

1

1

Octadecanoic acid, nonacosyl ester

H3C-(CH2)16-COO-(CH2)28-CH3

V-3

5323.

36610-45-4

1

1

1

Octadecanoic acid, nonadecyl ester

H3C-(CH2)16-COO-(CH2)18-CH3

V-3

5324.

70495-59-9

1

1

1

Octadecanoic acid, 3,7,11,15,19,23,27,31,35nonamethyl-2,6,10,14,18,22,26,30,34hexatriacontanonaenyl ester

5325.

63317-82-8

1

1

1

Octadecanoic acid, octacosyl ester

H3C-(CH2)16-COO-(CH2)27-CH3

V-3

5326.

2778-96-3

1

1

1

Octadecanoic acid, octadecyl ester

H3C-(CH2)16-COO-(CH2)17-CH3

V-3

5327.

121877-65-4

1

1

1

Octadecanoic acid, pentacosyl ester

H3C-(CH2)16-COO-(CH2)24-CH3

V-3

5328.

18299-80-4

1

1

1

Octadecanoic acid, pentadecyl ester

H3C-(CH2)16-COO-(CH2)14-CH3

V-3

5329.

42232-61-1

1

1

1

Octadecanoic acid, tetracosyl ester

H3C-(CH2)16-COO-(CH2)23-CH3

V-3

5330.

17661-50-6

1

1

1

Octadecanoic acid, tetradecyl ester

H3C-(CH2)16-COO-(CH2)13-CH3

V-3

5331.

63317-83-9

1

1

1

Octadecanoic acid, triacontyl ester

H3C-(CH2)16-COO-(CH2)29-CH3

V-3

5332.

42232-60-0

1

1

1

Octadecanoic acid, tricosyl ester

H3C-(CH2)16-COO-(CH2)22-CH3

V-3

5333.

31556-45-3

1

1

1

Octadecanoic acid, tridecyl ester

H3C-(CH2)16-COO-(CH2)12-CH3

V-3

5334.

17001-28-4

1

1

1

Octadecanoic acid, 16-methyl-

H3C-CH2-CH(CH3)-(CH2)14-COOH IVA-3

5335.

121877-53-0

1

1

1

Octadecanoic acid, 16-methyl-, docosyl ester

H3C-CH2-CH(CH3)-(CH2)14-COO-(CH2)21-CH3
V-3

5336.

121877-75-6

1

1

1

Octadecanoic acid, 16-methyl-, hexacosyl ester

H3C-CH2-CH(CH3)-(CH2)14-COO-(CH2)25-CH3
V-3

5337.

2724-59-6

0

1

0

Octadecanoic acid, 17-methyl-

(H3C)2=CH-(CH2)15-COOH

0

1

0

Octadecanoic acid, 17-methyl-, methyl ester

(H3C)2=CH-(CH2)15-COO-CH3

5339.

62172-54-7

1

0

0

Octadecanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester, [R-[R*,R*- (E)]]-

5340.

112-92-5

1

1

1

1-Octadecanol

5341.

2490-01-9

0

1

0

1-Octadecanol, 16-methyl-

5342.

51592-59-7

0

1

0

3,6,9,12,15-Octadecapentaenoic acid, (all-Z)-

IV.A-3

5343.

25448-06-0

0

1

0

Octadecatetraenoic acid

IV.A-3

5344.

25448-03-7

0

1

0

Octadecatrienoic acid

IV.A-3

5345.

27213-43-0

0

1

0

Octadecatrienoic acid, (Z,Z,Z)-

IV.A-3

5346.

97190-08-4

0

1

0

Octadecatrienoic acid, ester with 1,2,3-propanetriol
1-(2-aminoethyl hydrogen phosphate)
octadecadienoate, (all-Z)-

V-3

5347.

97229-62-4

0

1

0

Octadecatrienoic acid, ester with 1,2,3-propanetriol
1-(2-aminoethyl hydrogen phosphate) 2(or 3)hexadecanoate, (Z,Z,Z)-

V-3

5348.

97229-63-5

0

1

0

Octadecatrienoic acid, ester with 1,2,3-propanetriol
1,1'-(hydrogen phosphate) 2(or 3)-(3hexadecenoate), [R-(R*,S*)]-

V-3

5349.

29565-44-4

0

1

0

Octadecatrienoic acid, methyl ester

V-3

5350.

13296-76-9

1

0

0

9,11,13-Octadecatrienoic acid

5351.

463-40-1

1

1

1

9,12,15-Octadecatrienoic acid, (Z,Z,Z){linolenic acid}

H3C-(CH2CH=CH)3-(CH2)7-COOH IV.A-3

1

1

1

9,12,15-Octadecatrienoic acid, docosyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)21-CH3
V-3

5338.

5352.

Name (per CA Collective Index)

{stearyl alcohol}

Chapter
Table

Selected structures

V-3

IV.A-3

H3C-(CH2)16-CH2OH

V-3
V-3
II.A-5
II.A-5

IV.A-3

199

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
S

T

S
T

5353.

1

1

1

9,12,15-Octadecatrienoic acid, dodecyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)11-CH3
V-3

5354.

1

1

1

9,12,15-Octadecatrienoic acid, eicosyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)19-CH3
V-3

0

1

0

9,12,15-Octadecatrienoic acid, ethyl ester, (Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COOC2H5 V-3

5356.

1

1

1

9,12,15-Octadecatrienoic acid, heneicosyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)20-CH3
V-3

5357.

1

1

1

9,12,15-Octadecatrienoic acid, heptacosyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)26-CH3
V-3

5358.

1

1

1

9,12,15-Octadecatrienoic acid, heptadecyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)16-CH3
V-3

5359.

1

1

1

9,12,15-Octadecatrienoic acid, hexacosyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)25-CH3
V-3

5360.

1

1

1

9,12,15-Octadecatrienoic acid, hexadecyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)15-CH3
V-3

CAS No.

5355.

1191-41-9

Name (per CA Collective Index)

Chapter
Table

Selected structures

5361.

51327-73-2

0

1

0

9,12,15-Octadecatrienoic acid, 18-hydroxy-, (Z,Z,Z)-

HOCH2-(CH2CH=CH)3-(CH2)7-COOH
IV.A-3

5362.

7361-80-0

1

1

1

9,12,15-Octadecatrienoic acid, methyl ester
{methyl linolenate}

H3C-(CH2CH=CH)3-(CH2)7-COOCH3

5363.

301-00-8

1

1

1

9,12,15-Octadecatrienoic acid, methyl ester,
(Z,Z,Z){methyl linolenate}

H3C-(CH2CH=CH)3-(CH2)7-COO-CH3 V-3

1

1

1

9,12,15-Octadecatrienoic acid, nonadecyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)18-CH3
V-3

5364.

V-3

5365.

28973-74-2

1

1

1

9,12,15-Octadecatrienoic acid,
3,7,11,15,19,23,27,31,35-nonamethyl2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl
ester

5366.

17673-60-8

1

1

1

9,12,15-Octadecatrienoic acid, octadecyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)17-CH3
V-3

5367.

1

1

1

9,12,15-Octadecatrienoic acid, pentacosyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)24-CH3
V-3

5368.

1

1

1

9,12,15-Octadecatrienoic acid, pentadecyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)14-CH3
V-3

5369.

1

1

1

9,12,15-Octadecatrienoic acid, tetracosyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)23-CH3
V-3

5370.

1

1

1

9,12,15-Octadecatrienoic acid, tetradecyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)13-CH3
V-3

5371.

1

1

1

9,12,15-Octadecatrienoic acid, tricosyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)22-CH3
V-3

5372.

1

1

1

9,12,15-Octadecatrienoic acid, tridecyl ester,
(Z,Z,Z)-

H3C-(CH2CH=CH)3-(CH2)7-COO-(CH2)12-CH3
V-3

30452-68-7

1

0

0

9,12,15-Octadecatrienoic acid, 3,7,11,15tetramethyl-2-hexadecenyl ester, [R-[R*,R*(E,Z,Z,Z)]]-

5374.

506-44-5

1

0

0

9,12,15-Octadecatrien-1-ol, (Z,Z,Z)-

II.A-5

5375.

56554-87-1

0

1

0

16-Octadecenal

III-12

5376.

27070-58-2

1

0

0

Octadecene

5373.

V-3

V-3

H-(CH2)n-CH=CH-(CH2)(16-n)-H

200

I.B-1

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

112-88-9

1

0

0

1-Octadecene

H2C=CH-(CH2)15-CH3

I.B-1

5378.

1

0

0

1-Octadecene, 2-methyl-

H2C=C(CH3)-(CH2)15-CH3

I.B-1

5379.

1

0

0

2-Octadecene, (Z)-

H3C-CH=CH-(CH2)14-CH3

I.B-1

5380.

1

0

0

2-Octadecene, (E)-

5381.

1

0

0

2-Octadecene, 2-methyl-

H3C-C(CH3)=CH-(CH2)14-CH3

I.B-1

5382.

1

0

0

2-Octadecene, 16-methyl-, (Z)-

H3C-CH=CH-(CH2)12-CH(CH3)-CH2-CH3
I.B-1

5383.

1

0

0

2-Octadecene, 16-methyl-, (E)-

I.B-1

5384.

1

0

0

2-Octadecene, 17-methyl-, (Z)-

5385.

1

0

0

2-Octadecene, 17-methyl-, (E)

1

1

1

Octadecenoic acid

5377.

5386.

26764-26-1

Name (per CA Collective Index)

Chapter
Table

Selected structures

I.B-1

H3C-CH=CH-(CH2)13-CH(CH3)2

I.B-1
I.B-1

{oleic acid}

IV.A-3

{elaidic acid}

IV.A-3

5387.

112-79-8

1

1

1

Octadecenoic acid, (E)-

5388.

27104-13-8

0

1

0

Octadecenoic acid, (Z)-

5389.

93976-10-4

1

1

1

Octadecenoic acid, docosyl ester, (Z)-

V-3

1

1

1

Octadecenoic acid, heneicosyl ester, (Z)-

V-3

5390.

IV.A-3

5391.

93976-08-0

1

1

1

Octadecenoic acid, hexacosyl ester, (Z)-

V-3

5392.

27234-05-5

0

1

0

Octadecenoic acid, methyl ester

V-3

5393.

93976-09-1

1

1

1

Octadecenoic acid, tetracosyl ester, (Z)-

5394.

112-80-1

1

1

1

9-Octadecenoic acid (Z)-

5395.

71607-93-7

1

1

1

9-Octadecenoic acid (Z)-, 3,7,11,15,19,23,27,31,35nonamethyl-2,6,10,14,18,22,26,30,34-hexatria
contanonaenyl ester

V-3

5396.

57840-35-4

1

0

0

9-Octadecenoic acid (Z)-, 3,7,11,15-tetramethyl-2hexadecenyl ester, [R-[R*,R*-(E)]]-

V-3

5397.

36078-10-1

1

1

1

9-Octadecenoic acid (Z)-, dodecyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)11-CH3
V-3

5398.

22393-88-0

1

1

1

9-Octadecenoic acid (Z)-, eicosyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)19-CH3
V-3

5399.

111-62-6

1

1

1

9-Octadecenoic acid (Z)-, ethyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-C2H5

{oleic acid}

V-3
H3C-(CH2)7-CH=CH-(CH2)7-COOH IV.A-3

{ethyl oleate}
5400.

V-3

1

1

1

9-Octadecenoic acid (Z)-, heptacosyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)26-CH3
V-3

5401.

22393-86-8

1

1

1

9-Octadecenoic acid (Z)-, hexadecyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)16-CH3
V-3

5402.

112-62-9

1

1

1

9-Octadecenoic acid (Z)-, methyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-CH3

1

1

1

9-Octadecenoic acid (Z)-, nonadecyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)18-CH3
V-3

1

1

1

9-Octadecenoic acid (Z)-, octadecyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)17-CH3
V-3

1

1

1

9-Octadecenoic acid (Z)-, pentacosyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)24-CH3
V-3

1

1

1

9-Octadecenoic acid (Z)-, pentadecyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)14-CH3
V-3

1

1

1

9-Octadecenoic acid (Z)-, tetracosyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)23-CH3
V-3

V-3
5403.
5404.

17673-49-3

5405.
5406.
5407.

69454-18-8

201

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

5408.

CAS No.

S

T

S
T

Name (per CA Collective Index)

22393-85-7

1

1

1

9-Octadecenoic acid (Z)-, tetradecyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)13-CH3
V-3

1

1

1

9-Octadecenoic acid (Z)-, tricosyl ester

H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)22-CH3
V-3
H3C-(CH2)7-CH=CH-(CH2)7-COO-(CH2)12-CH3
V-3

5409.

Chapter
Table

Selected structures

5410.

75164-73-7

1

1

1

9-Octadecenoic acid (Z)-, tridecyl ester

5411.

104077-09-0

0

1

0

9-Octadecenoic acid, 18-[(1-oxo-9octadecenyl)oxy]-, 1-(hydroxymethyl)-2- [(1-oxo-9octadecenyl)oxy]ethyl ester, (Z,Z,Z)-

V-3

5412.

104077-10-3

0

1

0

9-Octadecenoic acid, 18-[(1-oxo-9octadecenyl)oxy]-, 1-(hydroxymethyl)-1,2ethanediyl ester, (all-Z)-

V-3

5413.

104100-34-7

0

1

0

9-Octadecenoic acid, 18-[(1-oxo-9octadecenyl)oxy]-, 2-hydroxy-1,3-propanediyl
ester, (all-Z)-

V-3

5414.

104077-06-7

0

1

0

9-Octadecenoic acid, 18-[(1-oxo-9octadecenyl)oxy]-, 2-hydroxy-3-[(1-oxo-9octadecenyl)oxy]propyl ester, (Z,Z,Z)-

V-3

5415.

104077-07-8

0

1

0

9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9octadecenyl)oxy]-9-octadecenyl]oxy]-, 2-hydroxy3-[[1-oxo-18-[(1-oxo-9-octadecenyl)oxy]-9octadecenyl]oxy]propyl ester, (all-Z)-

V-3

5416.

104077-11-4

0

1

0

9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9octadecenyl)oxy]-9-octadecenyl]oxy]-, 1(hydroxymethyl)-2-[[1-oxo-18-[(1-oxo-9octadecenyl)oxy]-9-octadecenyl]oxy]ethyl ester,
(all-Z)-

V-3

5417.

104077-12-5

0

1

0

9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9octadecenyl)oxy]-9-octadecenyl]oxy]-, 1(hydroxymethyl)-1,2-ethanediyl ester, (all-Z)-

V-3

5418.

104100-35-8

0

1

0

9-Octadecenoic acid, 18-[[1-oxo-18-[(1-oxo-9octadecenyl)oxy]-9-octadecenyl]oxy]-, 2-hydroxy1,3-propanediyl ester, (all-Z)-

V-3

5419.

104077-08-9

0

1

0

9-Octadecenoic acid, 18-[[1-oxo-18-[[1-oxo-18-[(1oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy ]-9octadecenyl]oxy]-, 2-hydroxy-3-[[1-oxo-18-[[1-oxo18- [(1-oxo-9-octadecenyl)oxy]-9octadecenyl]oxy]-9-octadecenyl]oxy]propyl ester,
(all-Z)-

V-3

5420.

104077-13-6

0

1

0

9-Octadecenoic acid, 18-[[1-oxo-18-[[1-oxo-18-[(1oxo-9-octadecenyl)oxy]-9-octadecenyl]oxy ]-9octadecenyl]oxy]-, 1-(hydroxymethyl)-2-[[1-oxo-18[[1-oxo- 18-[(1-oxo-9-octadecenyl)oxy]-9octadecenyl]oxy]-9-octadecenyl]oxy]ethyl ester,
(all-Z)-

V-3

5421.

24753-52-4

0

1

0

9-Octadecenoic acid, 18-hydroxy-, (Z)-

5422.

2462-84-2

0

1

0

9-Octadecenoic acid, methyl ester

5423.

593-47-5

0

1

0

9-Octadecen-1-ol

5424.

71899-42-8

0

1

0

5-Octadecyne

5425.

5392-40-5

1

1

1

2,6-Octadienal, 3,7-dimethyl-

5426.

71607-91-5

1

0

0

1,6-Octadiene, 4,7-dimethyl{2,5-dimethyl-2,7-octadiene}

II.A-5, IV.A-3
V-3
II.A-5
H3C-(CH2)3-C≡C-(CH2)11-CH3

I.B-1

{citral}

III-12
H2C=CH-C(CH3)=CH-CH2-CH=C(CH3)2
I.B-1

202

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

123-35-3

1

1

1

1,6-Octadiene, 7-methyl-3-methylene- {myrcene}

H2C=CH-C(=CH2)-(CH2)2-CH=C(CH3)2
I.B-1

5428.

2216-70-8

1

0

0

2,4-Octadiene, 7-methyl-

H3C-CH=CH-CH=CH-CH2-CH(CH3)2 I.B-1

5429.

71607-92-6

1

0

0

2,5-Octadiene, 7-methyl-

H3C-CH=CH-CH2-CH=CH-CH(CH3)2 I.B-1

5430.

1

0

0

2,6-Octadiene, 2,6-dimethyl-

I.B-1

5431.

1

0

0

2,7-Octadiene, 2,7-dimethyl-

I.B-1

0

1

0

2,7-Octadiene-1,6-diol, 2,6-dimethyl-, [S-(E)]-

0

1

0

Octadienoic acid

5427.

5432.

66957-95-7

5433.

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5
IV.A-3

5434.

459-80-3

0

1

0

2,6-Octadienoic acid, 3,7-dimethyl- {geranic acid}

IV.A-3

5435.

4698-08-2

0

1

0

2,6-Octadienoic acid, 3,7-dimethyl-, (E)-

IV.A-3

5436.

4613-38-1

0

1

0

2,6-Octadienoic acid, 3,7-dimethyl-, (Z)-

IV.A-3

5437.

64090-50-2

0

1

0

5,7-Octadienoic acid, 7-methyl-4-(1-methylethyl)-

IV.A-3

5438.

54557-54-9

0

1

0

5,7-Octadienoic acid, 7-methyl-4-(1-methylethyl)-,
(E)-

IV.A-3

5439.

70687-51-3

0

1

0

5,7-Octadienoic acid, 7-methyl-4-(1-methylethyl)-,
methyl ester

V-3

5440.

78-70-6

1

1

1

1,6-Octadien-3-ol, 3,7-dimethyl-

{linalool}

II.A-5
HO

5441.

1

1

1

1,6-Octadien-3-ol, 3,7-dimethyl-, labeled with 14C
{ linalool-14C}

XXV-29

5442.

115-95-7

0

1

0

1,6-Octadien-3-ol, 3,7-dimethyl-, acetate
{linalyl acetate}

V-3

5443.

115-99-1

0

1

0

1,6-Octadien-3-ol, 3,7-dimethyl-, formate
{linalyl formate}

V-3

5444.

106-24-1

1

1

1

2,6-Octadien-1-ol, 3,7-dimethyl-, (E)-

{geraniol}

II.A-5
CH2OH

5445.

106-25-2

0

1

0

2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-

5446.

38284-27-4

0

1

0

3,5-Octadien-2-one

5447.

30086-02-3

0

1

0

3,5-Octadien-2-one, (E,E)-

5448.

124-13-0

1

1

1

Octanal

5449.

107-75-5

0

1

0

Octanal, 7-hydroxy-3,7-dimethyl{hydroxycitronellal}

5450.

111-86-4

1

1

1

1-Octanamine

H3C-(CH2)6-CH2-NH2

5451.

111-65-9

1

1

1

Octane

H3C-(CH2)6-CH3

I.A-10

1

0

0

Octane, dimethyl-

C6H12=(CH3)2

I.A-10

61193-19-9

1

0

0

Octane, methyl-

C7H15-CH3

I.A-10

5452.
5453.

{nerol}

II.A-5
III-13
III-13
H3C-(CH2)6-CH=O

III-12
III-12
XII-2

5454.

2216-34-4

0

1

0

Octane, 4-methyl-

5455.

71607-64-2

1

0

0

Octane, phenyl-

I.A-10

5456.

505-48-6

1

0

0

Octanedioic acid

5457.

20653-90-1

0

1

0

2,3-Octanediol

II.A-5

5458.

585-25-1

1

1

1

2,3-Octanedione

III-13

5459.

65716-44-1

0

1

0

2,7-Octanedione, 3,3-dimethyl-

5460.

124-07-2

1

1

1

Octanoic acid

5461.

14352-59-1

0

1

0

Octanoic acid, 3,3-dimethyl-

I.A-10, I.D-1
{suberic acid}

IV.A-3

III-13
{caprylic acid}

H3C-(CH2)6-COOH

IV.A-3, XXI-3
IV.A-3

203

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

106-32-1

1

1

1

Octanoic acid, ethyl ester

5463.

111-11-5

0

1

0

Octanoic acid, methyl ester

5464.

3004-93-1

0

1

0

Octanoic acid, 2-methyl-

IV.A-3

5465.

16493-80-4

0

1

0

Octanoic acid, 4-ethyl-

IV.A-3

5466.

693-19-6

0

1

0

Octanoic acid, 7-methyl-

IV.A-3

5467.

70898-30-5

1

1

1

Octanoic acid, 3,7,11,15,19,23,27,31,35nonamethyl-2,6,10,14,18,22,26,30,34hexatriacontanonaenyl ester, (all-E)-

5468.

96937-51-8

1

0

0

Octanoic acid, oxo-

5462.

Name (per CA Collective Index)

Chapter
Table

Selected structures

{ethyl caprylate}

V-3

{methyl caprylate}

V-3

V-3

III-13, IV.A-3

5469.

638-25-5

0

1

0

Octanoic acid, pentyl ester

V-3

5470.

70898-31-6

0

1

0

Octanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl
ester, [R-[R*,R*-(E)]]-

V-3

5471.

111-87-5

1

1

1

1-Octanol

0

1

0

1-Octanol, 3,7-dimethyl-, acetate
{tetrahydrogeranyl acetate}

5472.

{caprylic alcohol}

H3C-(CH2)6-CH2OH

II.A-5, XXI-3
V-3

5473.

123-96-6

1

0

0

2-Octanol

H3C-(CH2)5-CHOH-CH3

II.A-5

5474.

589-98-0

0

1

0

3-Octanol

5475.

78-69-3

0

1

0

3-Octanol, 3,7-dimethyl-

5476.

111-13-7

1

1

1

2-Octanone

5477.

65716-45-2

0

1

0

2-Octanone, 7-hydroxy-3,3-dimethyl-, (±)-

5478.

106-68-3

0

1

0

3-Octanone

5479.

7194-85-6

1

1

1

Octatriacontane

H3C-(CH2)36-CH3

5480.

929-20-4

1

0

0

1,3,6-Octatriene

H2C=CH-CH=CH-CH2-CH=CH-CH3 I.B-1

5481.

13877-91-3

1

1

1

1,3,6-Octatriene, 3,7-dimethyl-

5482.

3779-61-1

0

1

0

1,3,6-Octatriene, 3,7-dimethyl-, (E)-

5483.

673-84-7

1

0

0

2,4,6-Octatriene, 2,6-dimethyl-

5484.

29414-56-0

1

0

0

1,5,7-Octatrien-3-ol, 2,6-dimethyl-

5485.

0

1

0

2-Octenal

III-12

5486.

0

1

0

2-Octenal, 4-(1-methylethyl)-

III-12

II.A-5
{tetrahydrolinalool}
{hexyl methyl ketone}

II.A-5
H3C-(CH2)5-CO-CH3

III-13
II.A-5, III-13

{ethyl amyl ketone}

{ocimene}

III-13
I.A-10

H2C=CH-C(CH3)=CH-CH2-CH=C(CH3)2
I.B-1
I.B-1

{alloöcimene}

(H3C)2=C=CH-CH=CH-C(CH3)=CH-CH3
I.B-1
II.A-5

5487.

106-23-0

1

1

1

6-Octenal, 3,7-dimethyl-

{citronellal}

(H3C) 2=C=CH-(CH2) 2-CH(CH3)-CH2-CH=O
III-12

5488.

71607-54-0

1

0

0

Octene, methyl-

5489.

111-66-0

1

0

0

1-Octene

H2C=CH-(CH2)5-CH3

I.B-1

5490.

4588-18-5

1

0

0

1-Octene, 2-methyl-

H2C=C(CH3)-(CH2)5-CH3

I.B-1

5491.

111-67-1

1

0

0

2-Octene

H3C-CH=CH-(CH2)4-CH3

I.B-1

5492.

592-99-4

1

0

0

4-Octene

H3C-(CH2)2-CH=CH-(CH2)2-CH3

5493.

28962-27-8

1

0

0

Octenoic acid

5494.

1470-50-4

I.B-1
{caprylene}

I.B-1
IV.A-3

0

1

0

2-Octenoic acid

5495.

0

1

0

2-Octenoic acid, 4-(1-methylethyl)-7-oxo-

III-13, IV.A-3

IV.A-3

5496.

0

1

0

4-Octenoic acid, 3-hydroxy-3-methyl- 6-(1methylethyl)-

II.A-5, IV.A-3

204

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.
5497.

S

T

S
T

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

4-Octenoic acid, 3-hydroxy-3-methyl-6-(1methylethyl)-, methyl ester

H3C

II.A-5, V-3

CH3
CH3

H3C
OH
H3C-OOC

5498.

41654-08-4

0

1

0

4-Octenoic acid, 6-ethyl-3-hydroxy-3,7-dimethyl-

II.A-5

5499.

63892-00-2

0

1

0

5-Octenoic acid

IV.A-3

5500.

41653-97-8

0

1

0

5-Octenoic acid, (Z)-

IV.A-3

5501.

502-47-6

0

1

0

6-Octenoic acid, 3,7-dimethyl-

IV.A-3

5502.

18719-24-9

0

1

0

7-Octenoic acid

IV.A-3

5503.

3391-86-4

0

1

0

1-Octen-3-ol

5504.

18409-17-1

0

1

0

2-Octen-1-ol, (E)-

5505.

106-22-9

1

1

1

6-Octen-1-ol, 3,7-dimethyl-

{dl-citronellol}

II.A-5

5506.

6812-78-8
141-25-3

0

1

0

7-Octen-1-ol, 3,7-dimethyl-

{rhodinol}

II.A-5

5507.

1669-44-9

0

1

0

3-Octen-2-one

II.A-5
H3C-(CH2)4-CH=CH-CH2OH

II.A-5

III-13

5508.

14129-48-7

0

1

0

4-Octen-3-one

5509.

124354-88-7

0

1

0

Octen-4-one, 2,6-dimethyl-, monoepoxy derivative

III-13

5510.

111-12-6

0

1

0

2-Octynoic acid, methyl ester

5511.

508-02-1

0

1

0

Olean-12-en-28-oic acid, 3-hydroxy-, (3β)-

5512.

471-53-4

1

0

0

Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-,
(3β,20β)-

5513.

559-70-6

1

1

1

Olean-12-en-3-ol, (3β)-

III-13, X-2
H3C-(CH2)4-C≡C-COO-CH3

V-3
II.A-5, IV.A-3

II.A-5, III-13, IV.A-3
H3C

{β-amyrin}
H3C

CH3

CH3

II.A-5, II.B-2

CH3
CH3

HO
H3C

{2,3-diaminopentanoic acid}

CH3

5514.

7006-33-9

1

1

1

Ornithine

H2N-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2

5515.

70-26-8

1

1

1

L-Ornithine

5516.

20197-09-5

0

1

0

L-Ornithine, N2-(1-carboxyethyl)-, (R)-

5517.

372-75-8

0

1

0

L-Ornithine, N5-(aminocarbonyl)-

5518.

7440-04-2

1

1

1

Osmium

5519.

141093-09-6

0

1

0

1-226-Osmotin (Nicotiana tabacum samsun clone
pMOG404 reduced)

XXII-2

5520.

141093-08-5

0

1

0

Osmotin (Nicotiana tabacum samsun clone
pMOG404 reduced)

XXII-2

5521.

143638-31-7

0

1

0

Osmotin (Nicotiana tabacum samsun clone pTOL1
precursor reduced)

XXII-2

5522.

143638-32-8

0

1

0

Osmotin (Nicotiana tabacum samsun clone pTOL1
reduced)

XXII-2

5523.

131553-54-3

0

1

0

Osmotin (Nicotiana tabacum samsun reduced)

XXII-2

5524.

142583-50-4

0

1

0

Osmotin (tobacco clone pVK5 precursor reduced)

XXII-2

IV.A-3, IV.B-7, XII-2
IV.A-3, IV.B-7, XII-2
{citrulline}

H2N-CO-NH-(CH2)3-CH(NH2)-COOH
IV.A-3, IV.B-7, XII-2, XIII-1
Os

XX-5

205

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

5525.

142583-51-5

0

1

0

Osmotin (tobacco clone pVK5 reduced)

5526.

190-26-1

1

0

0

Ovalene

5527.

38284-11-6

0

1

0

7-Oxabicyclo[4.1.0]heptane-2,5-dione, 1,3,3trimethyl-

5528.

73051-73-7

0

1

0

7-Oxabicyclo[2.2.1]heptan-2-ol, 1-(3-hydroxy-1butenyl)-2,6,6-trimethyl-

Name (per CA Collective Index)

Chapter
Table

Selected structures

XXII-2
I.E-6

III-13, X-2
II.A-5, X-2

OH
H3C

CH3
CH3

O

CH3
OH

5529.

68573-20-6

0

1

0

7-Oxabicyclo[4.1.0]heptan-3-ol, 6-(3-hydroxy-1butenyl)-1,5,5-trimethyl-

II.A-5, X-2

OH
H3C

CH 3
CH3
O

HO

5530.

72777-88-9

0

1

0

7-Oxabicyclo[4.1.0]heptan-3-ol, 6-(3-hydroxy-1butenyl)-1,5,5-trimethyl-

5531.

470-82-6

1

1

1

2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl{eucalyptol; 1.8-cineole}

CH 3

II.A-5, X-2
X-2

CH3

H3C
O

CH3

5532.

72693-08-4

1

0

0

6-Oxabicyclo[3.2.1]octan-7-one, 8-hydroxy-1methyl-

5533.

640-06-2

1

0

0

6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy{Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy, γ -lactone; quinic acid lactone; quinide}

II.A-5
II.A-5, VI-3

OH
OH

HO

C

O

O

5534.

27783-00-2

1

1

1

6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-,
(exo,exo)-

II.A-5

5535.

665-27-0

1

0

0

6-Oxabicyclo[3.2.1]octan-7-one, 1,3,4-trihydroxy-,
[1S-(exo,exo)]-

II.A-5, X-2

5536.

98064-77-8

0

1

0

15-Oxabicyclo[10.2.1]pentadec-6-en-3-one, 5,11dihydroxy-1,5,11-trimethyl-8-(1-methylethyl)-, [1R(1R*,5S*,6E,8S*,11R*,

II.A-5, III-13, X-2
CH3

H3C
OH

OH

6

10
8

H3C

11

5

7

9
1

2

CH3

O

O

5537.

98167-33-0

0

1

0

15-Oxabicyclo[10.2.1]pentadec-6-en-3-one, 5,11dihydroxy-1,5,11-trimethyl-8-(1-methylethyl)-, [1R(1R*,5S*,6E,8S*,11S*,12S*)]-

CH3
4

3

II.A-5, III-13, X-2
CH3

H 3C
OH

OH

6

10
8

H3C

11

1

O

5

7

9

2

3

CH3
4

CH3 O

206

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

5538.

CAS No.

S

T

S
T

98064-76-7

0

1

0

Name (per CA Collective Index)
15-Oxabicyclo[10.2.1]pentadec-6-en-3-one, 5hydroxy-1,5-dimethyl-11-methylene-8-(1methylethyl)-, [1R-(1R*,5S*,6E,8S*,1

II.A-5, III-13, X-2
CH3

H3C
H2C

8
9

11

0

1

0

15-Oxabicyclo[10.2.1]pentadec-6-ene-2,3,5-triol,
1,5-dimethyl-11-methylene-8-(1-methylethyl)-, [1R(1R*,2S*,3R*,5S*,6E,8

5540.

57760-48-2

1

1

1

15-Oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol,
1,5,11-trimethyl-8-(1-methylethyl)-, [1R(1R*,2E,5S*,6E,8S*,10E,12S*)]-

5

7
2

14

13

CH3
4

3

1

CH3

O

121927-14-8

OH

6

10

12

5539.

Chapter
Table

Selected structures

O

II.A-5, X-2

OH

6

10

H3C

II.A-5, X-2

CH3

H3C

8

9

11

5

7

CH3

2

4

1
3

CH3

O

5541.

60047-18-9

1

1

1

15-Oxabicyclo[10.2.1]pentadeca-2,6,10-trien-5-ol,
1,5,11-trimethyl-8-(1-methylethyl)-

OH

6

10

H3C

II.A-5, X-2

CH3

H3C

8

9

11

5

7
2

CH3
4

1
3

CH3

O

5542.

60026-18-8

1

1

1

15-Oxabicyclo[10.2.1]pentadeca-2,6,10-triene,
1,11-dimethyl-5-methylene-8-(1-methylethyl)-

5543.

69010-30-6

1

1

1

15-Oxabicyclo[10.2.1]pentadeca-2,6,10-triene,
1,11-dimethyl-5-methylene-8-(1-methylethyl)-, [1R(1R*,2E,6E,8S*,10Z,12S*)]-

X-2
H3C
H3C

X-2

CH3
6

10
11

8

9

CH2
5

7
2

4

1
3

CH3

O

5544.

1

1

1

15-Oxabicyclo[10.2.1]pentadeca-2,6,10-triene,
1,5,11-trimethyl-8-(1-methylethyl)-

H3C

X-2

CH3

10

H3C

8

CH3

6
5

11
2

4

1

CH3
O

5545.

57688-98-9

1

1

1

15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 1,5dimethyl-11-methylene-8-(1-methylethyl)-, [1R(1R*,2E,5S*,6E,8R*,10S*)]-

H3C

OH

6

10

H2C

II.A-5, X-2

CH3

11

8

9

5

7
2

CH3
4

1
3

CH3

O

5546.

57760-47-1

1

1

1

15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 1,5dimethyl-11-methylene-8-(1-methylethyl)-, [1R(1R*,2E,5R*,6E,8S*,12S*)]-

H3C

II.A-5, X-2

CH3
OH
6

10

H2C

8
11

9

7

5

2

CH3
4

1
3

O

CH3

207

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

5547.

CAS No.

S

T

S
T

60047-16-7

1

1

1

Name (per CA Collective Index)
15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 1,5dimethyl-11-methylene-8-(1-methylethyl)-

Chapter
Table

Selected structures

II.A-5, X-2

CH3

H3C

CH3
H2C
OH

CH3
O

5548.

102977-88-8

0

1

0

15-Oxabicyclo[10.2.1]pentadeca-2,6-dien-5-ol, 5methyl-11-methylene-8-(1-methylethyl)-

5549.

72693-05-1

1

1

1

15-Oxabicyclo[10.2.1]pentadeca-2,6-diene, 1methyl-5,11-bis(methylene)-8-(1-methylethyl)-

X-2

CH3

H3C
H2C

CH2

CH3
O

5550.

58947-96-9

0

1

0

15-Oxabicyclo[10.2.1]pentadeca-6,10-dien-2-one,
8-hydroxy-8,12-dimethyl-5-(1-methylethyl)-

5551.

98064-75-6

0

1

0

15-Oxabicyclo[10.2.1]pentadeca-6,10-dien-3-one,
5-hydroxy-1,5,11-trimethyl-8-(1-methylethyl)-, [1R(1R*,5S*,6E,8S*,10E,

II.A-5, III-13, X-2
II.A-5, III-13, X-2
CH3

H3C

8
9

11
12

14

13

66890-76-4

0

1

0

15-Oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8diol, 2,8,12-trimethyl-5-(1-methylethyl)-, [1S(1R*,2S*,5R*,6E,8R*,10E,12S*)]-

2

O

II.A-5, X-2

CH3
OH

3

5

2

H3C

CH3
4

3

CH3

H3C
OH

5

7
1

O

5552.

OH

6

10

H3C

4

7

6
10

1

CH3
8

9

CH3

O

5553.

66966-04-9

0

1

0

15-Oxabicyclo[10.2.1]pentadeca-6,10-diene-2,8diol, 2,8,12-trimethyl-5-(1-methylethyl)-, [1S(1R*,2R*,5R*,6E,8R*,10E,12S*)]-

H3C
OH

OH
5

2

H3C

II.A-5, X-2

CH3

3
4

7

6
10

1

CH3
8

9

CH3

O

5554.

119613-99-9

0

1

0

15-Oxabicyclo[12.1.0]pentadec-9-en-5-one, 11,13dihydroxy-1,11-dimethyl-8-(1-methylethyl)-, [1S(1R*,8R*,9E,11R*,13S*,14S*)]-

5555.

98064-73-4

0

1

0

15-Oxabicyclo[12.1.0]pentadeca-4,9-dien-6-one, 8hydroxy-4,8,14-trimethyl-11-(1-methylethyl)-, [1S(1R*,4E,8R*,9E,11R*)]

II.A-5, III-13, X-2

H3C
CH3

12 11

O

II.A-5, III-13, X-2

CH3

13

9
10

CH3
8

14

OH

1
3
2

5

6

7

4

CH3

O

5556.

152209-53-5

0

1

0

15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol,
11-(1-hydroxy-1-methylethyl)-4,8,14-trimethyl-,
[1S-(1R*,4E,6S*,8R*,9E,11S*,14R*)]-

II.A-5, X-2

5557.

70969-36-7

0

1

0

15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol,
4,8,14-trimethyl-11-(1-methylethyl)-

II.A-5, X-2

5558.

75281-93-5

0

1

0

15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol,
4,8,14-trimethyl-11-(1-methylethyl)-, [1S(1R*,4E,6S*,8S*,9E,11R*,14R*)]-

II.A-5, X-2

5559.

75281-99-1

0

1

0

15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol,
4,8,14-trimethyl-11-(1-methylethyl)-, [1S(1R*,4E,6S*,8R*,9E,11R*,14R*)]-

II.A-5, X-2

208

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

5560.

75282-00-7

0

1

0

15-Oxabicyclo[12.1.0]pentadeca-4,9-diene-6,8-diol,
4,8,14-trimethyl-11-(1-methylethyl)-, [1R(1R*,4E,6R*,8S*,9E,11S*,14R*)]-

5561.

62498-80-0

0

1

0

15-Oxabicyclo[9.3.1]pentadeca-2,6-diene-5,12-diol,
1,5,11-trimethyl-8-(1-methylethyl)-, [1R(1R*,2E,5S*,6E,8R*,11S*,12S*)]-

Name (per CA Collective Index)

Chapter
Table

Selected structures

II.A-5, X-2

II.A-5, X-2

CH3

H3C

OH

6

10

H3C

8

9

11

5

7

O

12

2

CH3
4

1

HO

3

CH3

5562.

123-69-3

1

0

0

Oxacycloheptadec-8-en-2-one, (Z)-{ambrettolide}

(CH2)8

VI-6

O

(CH2)6

5563.

106-02-5

0

1

0

Oxacyclohexadecan-2-one

O

(CH2)6

VI-6

O

{ω-pentadecalactone; exaltolide}
O

(CH2)6

5564.

68985-15-9

0

1

0

Oxacyclononadec-10-en-2-one, (E)-

(CH2)8

VI-6

O

O

(CH2)7

5565.

60918-97-0

0

1

0

1,3,4-Oxadiazol-2-amine, N-(4-bromophenyl)-5-(1naphthalenylmethyl)-

5566.

72962-43-7

0

1

0

β-homo-7-Oxaergostan-6-one, 2,3,22,23tetrahydroxy-, (2α,3α,5α,22R,23R,24S)-

5567.

80722-28-7

0

1

0

1-Oxaspiro[4.5]deca-2,6-dien-8-one, 2,6,10,10tetramethyl-

XII-2, XVII.D-2, XVIII.B-3
II.A-5, III-13

57893-27-3

0

1

0

1-Oxaspiro[4.5]decane, 6-acetoxy-2,6,10,10tetramethyl{6-acetoxydihydrotheaspirane}

2

10

O
7

H3C

CH3

6

8

O

5568.

3

4
9

III-13, X-2

CH3

H3C

CH3

V-3, X-2

CH3
CH3
O
CH3
OOC-CH3

5569.

65620-50-0

0

1

0

1-Oxaspiro[4.5]decane, 6-hydroxy-2,6,10,10tetramethyl{6-hydroxydihydrotheaspirane}

H3C

II.A-5, X-2

CH3
CH3
O
CH3
OH

5570.

0

1

0

1-Oxaspiro[4,5]dec-7-ene, 2,10,10-trimethyl{vitispirane}

H3 C

X-2

CH3
CH3
O
CH2

5571.

38713-26-7

0

1

0

1-Oxaspiro[4.5]dec-2-en-8-one, 2,6,6,10tetramethyl-

H3C

III-13, X-2

CH3
CH3
O
CH3

O

5572.

19377-59-4

0

1

0

1-Oxaspiro[4.5]dec-6-en-8-one, 2,6,10,10tetramethyl-

H3C

III-13, X-2

CH3
CH3
O

O

CH3

209

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

5573.

CAS No.

S

T

S
T

5259-88-1

0

1

0

Name (per CA Collective Index)

Chapter
Table

Selected structures

1,4-Oxathiin-3-carboxamide 4,4-dioxide, 5,6dihydro-2-methyl-N-phenyl{Oxycarboxin®}

XXI-3

O
H
N
S
O

O

O

5574.

1139-30-6

0

1

0

5-Oxatricyclo[8.2.0.04,6]dodecane, 4,12,12trimethyl-9-methylene-, [1R-(1R*,4R*,6R*,10S*)]{β-caryophyllene oxide}

X-2

CH3
11
10

H2C

CH3

12
1

2

9
6

8

4
7

5O

3

CH3

5575.

15769-88-7

1

1

1

2H-1,2-Oxazine, tetrahydro-2-methyl-6-(3-pyridinyl), (-)-

XVII.B-2

5576.

71607-95-9

1

0

0

2H-1,2-Oxazine, tetrahydro-3-(1-methylethyl)-6-(3pyridinyl)-

XVII.B-2

5577.

7208-05-1

1

0

0

Oxazole, 2,4-dimethyl-

XVII.D-2

5578.

1

0

0

Oxazole, 2,4-dimethyl-5-butyl-

XVII.D-2

5579.

1

0

0

Oxazole, 2,4-dimethyl-5-ethyl-

XVII.D-2

5580.

1

0

0

Oxazole, 2,4-dimethyl-5-(2-methylpropyl)-

XVII.D-2

5581.

1

0

0

Oxazole, 2,4-dimethyl-5-propyl-

XVII.D-2

1

0

0

Oxazole, 2,5-dimethyl-

XVII.D-2

1

0

0

Oxazole, 2,5-dimethyl-4-ethyl-

XVII.D-2

5582.

23012-11-5

5583.
5584.

1

0

0

Oxazole, 2,5-dimethyl-4-(2-methylpropyl)-

XVII.D-2

1

0

0

Oxazole, 4,5-dimethyl-

XVII.D-2

5586.

1

0

0

Oxazole, 4,5-dimethyl-2-butyl-

XVII.D-2

5587.

1

0

0

Oxazole, 4,5-dimethyl-2-ethyl-

XVII.D-2

5588.

1

0

0

Oxazole, 4,5-dimethyl-2-(1-methylpropyl)-

XVII.D-2

5589.

1

0

0

Oxazole, 4,5-dimethyl-2-(2-methylpropyl)-

XVII.D-2

5590.

1

0

0

Oxazole, 2-ethyl-4-methyl-

XVII.D-2

1

0

0

Oxazole, 2-ethyl-5-methyl-

1

0

0

Oxazole, 2-methyl-

5585.

20654-94-8
20662-83-3

5591.
5592.

23012-10-4

XVII.D-2
5
1

O

XVII.D-2

4

N3

CH3

5593.

1

0

0

Oxazole, 2-(2-methylpropyl)-

XVII.D-2

5594.

1

0

0

Oxazole, 2-(3-methylbutyl)-

XVII.D-2

5595.

1

0

0

Oxazole, 2-methyl-4-butyl-

XVII.D-2

5596.

1

0

0

Oxazole, 2-methyl-5-ethyl-

XVII.D-2

5597.

1

0

0

Oxazole, 2-methyl-4-(2-methylpropyl)-

XVII.D-2

5598.

1

0

0

Oxazole, 4-(2-methylpropyl)-

XVII.D-2

5599.

1

0

0

Oxazole, 4-methyl-2-butyl-

XVII.D-2

5600.

1

0

0

Oxazole, 4-methyl-2-(2-methylpropyl)-

XVII.D-2

5601.

1

0

0

Oxazole, 4-methyl-5-(2-methylpropyl)-

XVII.D-2

5602.

1

0

0

Oxazole, 4-methyl-2-propyl-

XVII.D-2

210

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
S

T

S
T

5603.

1

0

0

Oxazole, 4-methyl-5-propyl-

XVII.D-2

5604.

1

0

0

Oxazole, 4-pentyl-

XVII.D-2

5605.

1

0

0

Oxazole, 5-methyl-4-ethyl-

XVII.D-2

CAS No.

Name (per CA Collective Index)

5606.

20662-84-4

0

1

0

Oxazole, trimethyl- = 2,4,5-Trimethyloxazole

5607.

2346-26-1

1

0

0

2,4-Oxazolidinedione

5608.

50471-44-8

0

1

0

2,4-Oxazolidinedione, 3-(3,5-dichlorophenyl)-5ethenyl-5-methyl{Vinclozolin®}

Chapter
Table

Selected structures

XVII.D-2
XIV-1, XVII.D-2
XIV-1, XVIII.B-3,
XXI-3

Cl
O

N
Cl

O
O

5609.

1

0

0

2,4-Oxazolidinedione, 5-ethyl-1-methyl-

XIV-1, XVII.D-2
XIV-1, XVII.D-2

5610.

27770-23-6

1

0

0

2,4-Oxazolidinedione, 5-methyl-

5611.

9035-73-8

0

1

0

Oxidase

XXII-2

5612.

9029-44-1

0

1

0

Oxidase, ascorbate

XXII-2

0

1

0

Oxidase, choline

XXII-2

5613.
5614.

9076-84-0

0

1

0

Oxidase, coproporphyrinogen

XXII-2

5615.

9001-16-5

0

1

0

Oxidase, cytochrome

XXII-2

5616.

9001-53-0

0

1

0

Oxidase, diamine

XXII-2

5617.

9028-71-1

0

1

0

Oxidase, glycolate

XXII-2

5618.

9027-85-4

0

1

0

Oxidase, indoleacetate

XXII-2

5619.

55326-39-1

0

1

0

Oxidase, isopentenyladenosine

XXII-2

5620.

37259-79-3

0

1

0

Oxidase, methylputrescine

XXII-2

5621.

9001-96-1

0

1

0

Oxidase, pyruvate

XXII-2

5622.

9032-21-7

0

1

0

Oxidase, reduced nicotinamide adenine
dinucleotide

XXII-2

5623.

9032-22-8

0

1

0

Oxidase, reduced nicotinamide adenine
dinucleotide phosphate

XXII-2

5624.

9014-35-1

0

1

0

Oxidase, succinate

XXII-2

5625.

69671-26-7

0

1

0

Oxidase, ubiquinol

XXII-2

5626.

9002-12-4

0

1

0

Oxidase, urate

XXII-2

5627.

9002-17-9

0

1

0

Oxidase, xanthine

XXII-2

5628.

75-21-8

1

0

0

Oxirane

5629.

106-89-8

0

1

0

Oxirane, (chloromethyl)-

5630.

7200-26-2

1

0

0

Oxirane, 2,2-dimethyl-3-(3,7,12,16,20-pentamethyl3,7,11,15,19-heneicosapentaenyl)-, (all-E)-

X-2

5631.

75-56-9

1

0

0

Oxirane, methyl-

{propylene oxide}

X-2

5632.

96-09-3

0

1

0

Oxirane, phenyl-

{phenylethylene oxide}

5633.

77288-97-2

0

1

0

Oxiranebutanol, 3-(1-hydroxy-1-methylethyl)-αmethyl-δ-(1-methylethyl)-, [2α(αS*,δR*),3α]-

II.A-5, X-2

5634.

77288-94-9

0

1

0

Oxiranebutanol, 3-(1-hydroxyethyl)-α-methyl-δ-(1methylethyl)-

II.A-5, X-2

0

1

0

Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl
ester
{ethyl methylphenylglycidate}

0

1

0

2,3-Oxiranedimethanol, monopropanoate

5635.
5636.

61892-62-4

{ethylene oxide}

X-2
X-2, XVIII.B-3

X-2

V-3, X-2
II.A-5, V-3, X-2

211

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke

5637.

CAS No.

S

T

S
T

556-52-5

1

0

0

Name (per CA Collective Index)
Oxiranemethanol

Chapter
Table

Selected structures

{glycidol}

II.A-5, X-2

O
CH2OH

5638.

0

1

0

Oxiranemethanol, acetate

{glycidyl acetate}

V-3, X-2

O
CH2OOC-CH3

5639.

51297-34-8

0

1

0

Oxiranemethanol, 3-(1-ethyl-2-methylpropyl)-α,αdimethyl-

5640.

7782-44-7

1

1

1

Oxygen

5641.

7782-44-7

1

1

1

Oxygen (diradical)

5642.

9029-57-6

0

1

0

Oxygenase, 2,5-dihydroxypyridine 5,6-di-

XXII-2

5643.

152060-37-2

0

1

0

Oxygenase, benzoate 2-mono-

XXII-2

5644.

9077-75-2

0

1

0

Oxygenase, cinnamate 4-mono-

XXII-2

5645.

9068-40-0

0

1

0

Oxygenase, p-coumarate 3-mono-

XXII-2

5646.

9002-10-2

0

1

0

Oxygenase, monophenol mono-

XXII-2

5647.

9028-06-2

0

1

0

Oxygenase, protocollagen proline di-

XXII-2

5648.

39335-11-0

0

1

0

Oxygenase, ribulose diphosphate

5649.

7440-05-3

1

1

1

Palladium

5650.

142193-29-1

0

1

0

Parasiticein

XXII-2

5651.

142193-19-9

0

1

0

Parasiticein (Phytophthora parasitica reduced)

XXII-2

5652.

9046-40-6

0

1

0

Pectic acid

0

1

0

Pectic acid, labeled with 14C {pectic acid-14C}

5653.

O2

XXII-2
XX-5

IV.A-3, VIII-3

65028-58-2

0

1

0

Pectic acid, magnesium salt

5655.

9000-69-5

0

1

0

Pectin

0

1

0

Pectin, labeled with 14C

5657.

XIX-5, XX-5
XXVII-1

Pd

5654.

5656.

II.A-5, X-2

XXV-29
XX-6
VIII-3

{pectin-14C}

XXV-29

0

1

0

Pectinic acid

5658.

135-48-8

1

0

0

Pentacene

5659.

629-99-2

1

1

1

Pentacosane

H3C-(CH2)23-CH3

I.A-10

5660.

629-87-8

1

0

0

Pentacosane, 2-methyl-

H3C-(CH2)22-CH=(CH3)2

I.A-10

5661.

506-38-7

1

1

1

Pentacosane, 3-methyl-

5662.

506-38-7

1

1

1

Pentacosanoic acid

H3C-(CH2)23-COOH

IV.A-3

5663.

121877-88-1

1

1

1

Pentacosanoic acid, docosyl ester

H3C-(CH2)23-COO-(CH2)21-CH3

V-3

1

1

1

Pentacosanoic acid, dodecyl ester

H3C-(CH2)23-COO-(CH2)11-CH3

V-3

5664.
5665.

121877-80-3

IV.A-3, VIII-3
{benzo[b]naphthacene}

I.E-6

I.A-10

1

1

1

Pentacosanoic acid, eicosyl ester

H3C-(CH2)23-COO-(CH2)19-CH3

V-3

5666.

1

1

1

Pentacosanoic acid, heneicosyl ester

H3C-(CH2)23-COO-(CH2)20-CH3

V-3

5667.

1

1

1

Pentacosanoic acid, heptacosyl ester

H3C-(CH2)23-COO-(CH2)26-CH3

V-3

5668.

1

1

1

Pentacosanoic acid, heptadecyl ester

H3C-(CH2)23-COO-(CH2)16-CH3

V-3

5669.

1

1

1

Pentacosanoic acid, hexacosyl ester

H3C-(CH2)23-COO-(CH2)25-CH3

V-3

5670.

1

1

1

Pentacosanoic acid, hexadecyl ester

H3C-(CH2)23-COO-(CH2)15-CH3

V-3

5671.

1

1

1

Pentacosanoic acid, nonadecyl ester

H3C-(CH2)23-COO-(CH2)18-CH3

V-3

1

1

1

Pentacosanoic acid, octadecyl ester

H3C-(CH2)23-COO-(CH2)17-CH3

V-3

1

1

1

Pentacosanoic acid, pentacosyl ester

H3C-(CH2)23-COO-(CH2)24-CH3

V-3

5672.
5673.

10482-74-3

212

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
S

T

S
T

5674.

1

1

1

5675.

1

1

5676.

1

1

5677.

1

5678.

1

CAS No.

5679.

Selected structures

Chapter
Table

Pentacosanoic acid, pentadecyl ester

H3C-(CH2)23-COO-(CH2)14-CH3

V-3

1

Pentacosanoic acid, tetracosyl ester

H3C-(CH2)23-COO-(CH2)23-CH3

V-3

1

Pentacosanoic acid, tetradecyl ester

H3C-(CH2)23-COO-(CH2)13-CH3

V-3

1

1

Pentacosanoic acid, tricosyl ester

H3C-(CH2)23-COO-(CH2)32-CH3

V-3

1

1

Pentacosanoic acid, tridecyl ester

H3C-(CH2)23-COO-(CH2)12-CH3

V-3

Name (per CA Collective Index)

0

1

0

Pentacosanoic acid, 23-methyl-

H3C-CH2-CH(CH3)-(CH2)21-COOH IV.A-3

1

1

1

Pentacosanoic acid, 23-methyl-, heneicosyl ester

H3C-CH2-CH(CH3)-(CH2)21-COO-(CH2)20-CH3
V-3

129074-11-9

1

0

0

Pentacosanol

26040-98-2

0

1

0

1-Pentacosanol

H3C-(CH2)23-CH2OH

II.A-5

5683.

63785-24-0

0

1

0

1-Pentacosanol, 24-methyl-

(H3C)2=CH-(CH2)22-CH2OH

II.A-5

5684.

30551-31-6

1

0

0

Pentacosene

5685.

16980-85-1

1

0

0

1-Pentacosene

H3C-(CH2)22-CH=CH2

I.B-1

5686.

1

0

0

1-Pentacosene, 2-methyl-

H2C=CH-(CH2)22-CH3

I.B-1

5687.

1

0

0

2-Pentacosene, (Z)-

H3C-CH=CH-(CH2)21-CH3

I.B-1

5688.

1

0

0

2-Pentacosene, (E)-

5689.

1

0

0

2-Pentacosene, 2-methyl-

H3C-C(CH3)=CH-(CH2)21-CH3

5690.

1

0

0

2-Pentacosene, 23-methyl-, (Z)-

H3C-CH=CH-(CH2)19-CH(CH3)-CH2-CH3
I.B-1

5691.

1

0

0

2-Pentacosene, 23-methyl-, (E)-

I.B-1

5692.

1

0

0

2-Pentacosene, 24-methyl-, (Z)-

5693.

1

0

0

2-Pentacosene, 24-methyl-, (E)-

5680.

121877-85-8

5681.
5682.

5694.

102673-27-8

0

1

0

4,9-Pentadecadienal, 6-(acetyloxy)-8-hydroxy-4,8dimethyl-11-(1-methylethyl)-14-oxo-, [6R(4E,6R*,8R*,9E,11S*)]-

5695.

95360-16-0

0

1

0

4,9-Pentadecadienal, 6,8-dihydroxy-4,8-dimethyl11-(1-methylethyl)-14-oxo-, [6R(4E,6R*,8S*,9E,11S*)]-

1

0

0

Pentadecadiene, 2,6,10,14-tetramethyl-

1

0

0

4,9-Pentadecadienoic acid, 6,8-dihydroxy-4,8dimethyl-11-(1-methylethyl)-14-oxo-

5696.
5697.

70898-33-8

II.A-5

I.B-1

I.B-1
I.B-1

H3C-CH=CH-(CH2)20-CH(CH3)2

I.B-1
I.B-1

II.A-5, V-3, III-12

II.A-5, III-12

I.B-1
II.A-5, IV.A-3, III-13
CH3

H3C

CH3
H3C
OH
O
HOOC

CH3

OH

5698.

102734-50-9

0

1

0

4,9-Pentadecadienoic acid, 6,8-dihydroxy-4,8dimethyl-11-(1-methylethyl)-14-oxo-, methyl ester,
[6R-(4E,6R*,8S*,9E,11S*)]-

II.A-5, V-3, III-13

5699.

102734-51-0

0

1

0

4,9-Pentadecadienoic acid, 6,8-dihydroxy-4,8dimethyl-11-(1-methylethyl)-14-oxo-, methyl ester,
[6R-(4E,6R*,8R*,9E,11S*)]-

II.A-5, V-3, III-13

5700.

152209-55-7

0

1

0

6,11-Pentadecadien-2-one, 8,10,15-trihydroxy-8,12dimethyl-5-(1-methylethyl)-, [5S(5R*,6E,8R*,10S*,11E)]-

5701.

2765-11-9

0

1

0

Pentadecanal

5702.

68982-28-5

0

1

0

Pentadecanal, 2-ethylidene-6,10,14-trimethyl- H-

II.A-5, III-13

H3C-(CH2)13-CH=O

III-12
III-12

213

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

629-62-9

1

1

1

Pentadecane

0

1

0

Pentadecane, 4-acetoxy-

5705.

1560-93-6

1

1

1

5706.

2882-96-4

1

1

5707.

1921-70-6

1

0

5708.

3892-00-0

1

5709.

1460-18-0

1

5710.

1002-84-2

5711.

42232-23-5

5712.

5703.

Name (per CA Collective Index)

Chapter
Table

Selected structures
H3C-(CH2)13-CH3

I.A-10

Pentadecane, 2-methyl-

H3C-(CH2)12-CH=(CH3)2

I.A-10

1

Pentadecane, 3-methyl-

H3C-(CH2)11-CH(CH3)-CH2-CH3

0

Pentadecane, 2,6,10,14-tetramethyl-

0

0

Pentadecane, 2,6,10-trimethyl-

0

0

Pentadecanedioic acid

HOOC-(CH2)13-COOH

IV.A-3

1

1

1

Pentadecanoic acid

H3C-(CH2)13-COOH

IV.A-3

1

1

1

Pentadecanoic acid, docosyl ester

H3C-(CH2)13-COO-(CH2)21-CH3

V-3

42232-14-4

1

1

1

Pentadecanoic acid, dodecyl ester

H3C-(CH2)13-COO-(CH2)11-CH3

V-3

5713.

36617-37-5

1

1

1

Pentadecanoic acid, eicosyl ester

H3C-(CH2)13-COO-(CH2)19-CH3

V-3

5714.

41114-00-5

0

1

0

Pentadecanoic acid, ethyl ester

H3C-(CH2)13-COO-CH2-CH3

V-3

5715.

42232-22-4

1

1

1

Pentadecanoic acid, heneicosyl ester

H3C-(CH2)13-COO-(CH2)20-CH3

V-3

1

1

1

Pentadecanoic acid, heptacosyl ester

H3C-(CH2)13-COO-(CH2)26-CH3

V-3

1

1

1

Pentadecanoic acid, heptadecyl ester

H3C-(CH2)13-COO-(CH2)16-CH3

V-3

1

1

1

Pentadecanoic acid, hexacosyl ester

H3C-(CH2)13-COO-(CH2)25-CH3

V-3

5704.

5716.
5717.

36617-34-2

5718.

V-3

I.A-10
I.A-10
I.A-10

5719.

36617-33-1

1

1

1

Pentadecanoic acid, hexadecyl ester

H3C-(CH2)13-COO-(CH2)15-CH3

V-3

5720.

7132-64-1

1

1

1

Pentadecanoic acid, methyl ester

H3C-(CH2)13-COO-CH3

V-3

5721.

36617-36-4

1

1

1

Pentadecanoic acid, nonadecyl ester

H3C-(CH2)13-COO-(CH2)18-CH3

V-3

5722.

36617-35-3

1

1

1

Pentadecanoic acid, octadecyl ester

H3C-(CH2)13-COO-(CH2)17-CH3

V-3

1

1

1

Pentadecanoic acid, pentacosyl ester

H3C-(CH2)13-COO-(CH2)24-CH3

V-3

5723.
5724.

36617-32-0

1

1

1

Pentadecanoic acid, pentadecyl ester

H3C-(CH2)13-COO-(CH2)14-CH3

V-3

5725.

121877-44-9

1

1

1

Pentadecanoic acid, tetracosyl ester

H3C-(CH2)13-COO-(CH2)23-CH3

V-3

5726.

36617-31-9

1

1

1

Pentadecanoic acid, tetradecyl ester

H3C-(CH2)13-COO-(CH2)13-CH3

V-3

5727.

42232-24-6

1

1

1

Pentadecanoic acid, tricosyl ester

H3C-(CH2)13-COO-(CH2)22-CH3

V-3

5728.

36617-30-8

1

1

1

Pentadecanoic acid, tridecyl ester

H3C-(CH2)13-COO-(CH2)12-CH3

V-3

1

1

1

Pentadecanoic acid, 13-methyl-

H3C-CH2-CH(CH3)-(CH2)11-COOH

V-3

5729.
5730.

121877-18-7

1

1

1

Pentadecanoic acid, 13-methyl-, heptadecyl ester

H3C-CH2-CH(CH3)-(CH2)11-COO-(CH2)16-CH3
V-3

5731.

121877-55-2

1

1

1

Pentadecanoic acid, 13-methyl-, pentacosyl ester

H3C-CH2-CH(CH3)-(CH2)11-COO-(CH2)24-CH3
V-3

5732.

121877-43-8

1

1

1

Pentadecanoic acid, 13-methyl-, tricosyl ester

H3C-CH2-CH(CH3)-(CH2)11-COO-(CH2)32-CH3
V-3

5733.

4669-02-7

1

1

1

Pentadecanoic acid, 14-methyl-

(H3C)2=CH-(CH2)12-COOH

5734.

121877-31-4

1

1

1

Pentadecanoic acid, 14-methyl-, docosyl ester

(H3C)2=CH-(CH2)12-COO-(CH2)21-CH3 V-3

5735.

121877-27-8

1

1

1

Pentadecanoic acid, 14-methyl-, eicosyl ester

(H3C)2=CH-(CH2)12-COO-(CH2)19-CH3 V-3

5736.

121877-13-2

1

1

1

Pentadecanoic acid, 14-methyl-, heptadecyl ester

(H3C)2=CH-(CH2)12-COO-(CH2)16-CH3 V-3

5737.

121877-20-1

1

1

1

Pentadecanoic acid, 14-methyl-, octadecyl ester

(H3C)2=CH-(CH2)12-COO-(CH2)17-CH3 V-3

5738.

121877-47-2

1

1

1

Pentadecanoic acid, 14-methyl-, tetracosyl ester

(H3C)2=CH-(CH2)12-COO-(CH2)23-CH3 V-3

5739.

121877-38-1

1

1

1

Pentadecanoic acid, 14-methyl-, tricosyl ester

(H3C)2=CH-(CH2)12-COO-(CH2)22-CH3 V-3

0

1

0

Pentadecanoic acid, 3,7,11,15,19,23,27,31,35nonamethyl-2,6,10,14,18,22,26,30,34hexatriacontanonaenyl ester

5740.

IV.A-3

V-3

214

Alphabetical Index to Chemical Components in Tobacco, Tobacco Smoke, and Tobacco Substitute Smoke
CAS No.

S

T

S
T

71607-96-0

1

0

0

Pentadecanoic acid, 3,7,11,15-tetramethyl-2hexadecenyl ester, [R-[R*,R*- (E)]]-

5742.

629-76-5

1

1

1

1-Pentadecanol

H3C-(CH2)13-CH2OH

II.A-5

5743.

20194-48-3

0

1

0

1-Pentadecanol, 14-methyl-

(H3C)2=CH-(CH2)12-CH2OH

II.A-5

5744.

2345-28-0

0

1

0

2-Pentadecanone

H3C-(CH2)12-CO-CH3

III-13

5745.

502-69-2

1

1

1

2-Pentadecanone, 6,10,14-trimethyl{phytone; hexahydrofarnesyl acetone}

H-[CH2-CH(CH3)-CH2-CH2]3-CH2-CO-CH3
III-13

5746.

16825-16-4

0

1

0

2-Pentadecanone, 6,10,14-trimethyl-, [R-(R*,R*)]-

5747.

81345-07-5

1

0

0

3,8,12,14-Pentadecatetraen-2-one, 8,12-dimethyl-5(1-methylethyl)-, (E,E,E)-

5741.

Name (per CA Collective Index)

Chapter
Table

Selected structures

V-3