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Table 2 Flavor chemicals in which Ames test was newly conducted

From: Development of a new quantitative structure–activity relationship model for predicting Ames mutagenicity of food flavor chemicals using StarDrop™ auto-Modeller™

No.

JECFA No.

Chemical Name

CAS No

Purity (%)

Supplier

Category*

Ames test result

Comments for Ames test

1

128

hexyl acetate

142–92-7

99.7

Inoue Perfumery MFG. Co.,Ltd.

Esters

Negative

 

2

236

delta-dodecalactone

713–95-1

98.5

SODA AROMATIC Co., Ltd.

Lactones

Negative

 

3

255

2-methylbutyric acid

116–53-0

99.9

Inoue Perfumery MFG. Co.,Ltd.

Fatty acids

Negative

 

4

256

2-ethylbutanal

97–96-1

99.4

SODA AROMATIC Co., Ltd.

Aliphatic higher aldehydes

Negative

 

5

327

(5or6)-decenoic acid

72,881–27-7

83.8

SODA AROMATIC Co., Ltd.

Fatty acids

Negative

 

6

410

2,3-pentanedione

600–14-6

99.7

Frutarom Ltd

Ketones

Positive**

-S9mix: positive in TA100, TA98 +S9mix: positive in TA100

Maximum RAV; 323 (−S9, TA100)

7

452

dimethyl sulfide

75–18-3

25

Inoue Perfumery MFG. Co.,Ltd.

Thioethers

Negative

 

8

470

2-[(methylthio)methyl]-2-butenal

40,878–72-6

98.1

T. HASEGAWA CO., LTD.

Aliphatic higher aldehydes

Positive

-S9mix: positive in TA100

+S9mix: positive in TA100, WP2uvrA

Maximum RAV; 225 (−S9, TA100)

9

520

2-mercaptopinane

23,832–18-0

98.0

SIGMA ALDRICH

Thiols

Negative

 

10

687

4′-methoxycinnamaldehyde

1963-36-6

98

Alfa Aesar

Aromatic aldehydes

Positive

+S9mix: weak positive in TA100

11

725

4-ethenyl-2-methoxyphenol

7786–61-0

99.8

T. HASEGAWA CO., LTD.

Phenols

Negative

 

12

728

raspberry ketone

5471-51-2

99.9

Jiangxi Zhangshu Crown Capital Fragrance Limited

Ketones

Positive

+S9mix: positive in TA1535

Maximum RAV; 10 (+S9, TA1535)

13

745

5-methylfurfural

620–02-0

99.8

R.C. Treatt & Co. Ltd

Furfurals and its derivatives

Negative

 

14

866

4-methylbenzaldehyde

104–87-0

99.6

Penta International Corporation

Aromatic aldehydes

Negative

 

15

928

hexanal propyleneglycol acetal

1599–49-1

99.9

San-Ei Gen F.F.I.,Inc.

Ethers

Negative

 

16

941

acetaldehyde diethyl acetal

105–57-7

99.4

Ogawa & Co., Ltd.

Ethers

Negative

 

17

1031

2-(4-methyl-5-thiazolyl)ethanol

137–00-8

99.9

Inoue Perfumery MFG. Co.,Ltd.

Aromatic alcohols

Negative

 

18

1072

2-furanmethanethiol

98–02-2

99.5

SIGMA ALDRICH

Thiols

Negative

 

19

1208

4-methyl-2-pentenal

5362-56-1

99.2

T. HASEGAWA CO., LTD.

Aliphatic higher aldehydes

Positive

-S9mix: positive in TA100

+S9mix: positive in TA100

Maximum RAV; 1340 (−S9, TA100)

20

1256

isoeugenyl methyl ether

93–16-3

99.4

Inoue Perfumery MFG. Co.,Ltd.

Phenol ethers

Negative

 

21

1301

indole

120–72-9

99.7

SIGMA ALDRICH

Indoles and its derivatives

Negative

 

22

1304

skatole

83–34-1

98

SIGMA ALDRICH

Indoles and its derivatives

Negative

 

23

1340

gamma-terpinene (p-Mentha-1,4-diene)

99–85-4

98.7

Takata Koryo Co., Ltd.

Terpene hydrocarbons

Negative

 

24

1341

1,3,5-undecatriene

16,356–11-9

96.6

Givaudan Japan K.K.

Aliphatic higher hydrocarbons

Negative

 

25

1354

2-hexenol

2305-21-7

96

SODA AROMATIC Co., Ltd.

Aliphatic higher alcohols

Negative

 

26

1451

4-methoxy-2,5-dimethyl-3(2H)-furanone

4077-47-8

97

Tokyo Chemical Industry Co., Ltd.

Ketones

Negative

 

27

1454

linalool oxide (furanoid)

1365-19-1

99.5

T. HASEGAWA CO., LTD.

Aliphatic higher alcohols

Negative

 

28

1456

2,5-dimethyl-4-oxo-3(5H)-furyl acetate

4166–20-5

> 95

Takata Koryo Co., Ltd.

Esters

Positive

-S9mix: positive in TA100

Maxmum RAV; 77 (−S9, TA100)

29

1472

5-methyl-2-phenyl-2-hexenal

21,834–92-4

96.5

Frutarom Ltd

Aromatic aldehydes

Negative

 

30

1506

3-acetyl-2,5-dimethylfuran

10,599–70-9

98

Tokyo Chemical Industry Co., Ltd.

Ketones

Positive

-S9mix: positive in TA100, WP2uvrA, TA98

+S9mix: positive in TA100

Maximum RAV; 1281 (−S9, TA100)

31

1519

4,5-dihydro-2,5-dimethyl-4-oxofuran-3-yl butyrate

114,099–96-6

97.0

Tokyo Chemical Industry Co., Ltd.

Esters

Positive

+S9mix: positive in TA100

Maximum RAV; 38 (+S9, TA100)

32

1560

allyl isothiocyanate

57–06-7

> 97

Nippon Terpene Chemicals, Inc.

Isothiocyanates

Positive

-S9mix: weak positive in TA100, TA1535, TA98 +S9mix: weak positive in TA100, TA1535

33

1853

2-(l-menthoxy)ethanol

38,618–23-4

98.7

Takasago International Corporation

Aliphatic higher alcohols

Negative

 

34

1882

vanillin propyleneglycol acetal

68,527–74-2

98.8

Inoue Perfumery MFG. Co.,Ltd.

Phenols

Negative

 

35

1894

5-hexenyl isothiocyanate

49,776–81-0

95.8

T. HASEGAWA CO., LTD.

Isothiocyanates

Negative

 

36

2100

furfural propyleneglycol acetal

4359-54-0

99.7

Inoue Perfumery MFG. Co.,Ltd.

Furfurals and its derivatives

Positive

-S9mix: positive in TA100

Maxmum RAV; 302 (−S9, TA100)

37

2101

furfuryl formate

13,493–97-5

> 98.9

T. HASEGAWA CO., LTD.

Esters

Positive

-S9mix: positive in TA100, WP2uvrA, TA98

+S9mix: positive in TA100, TA98

Maximum RAV; 396 (−S9, TA100)

38

2141

butyl 2-naphthyl ether

10,484–56-7

99.9

Koyo Chemical

Phenol ethers

Negative

 

39

2144

methyl beta-phenylglycidate

37,161–74-3

99.8

T. HASEGAWA CO., LTD.

Esters

Positive

-S9mix: positive in TA100, WP2uvrA +S9mix: positive in WP2uvrA

Maximum RAV; 84 (−S9, TA100)

40

2157

6-methoxyquinoline

5263–87-6

98.9

Tokyo Chemical Industry Co., Ltd.

Ethers

Positive

-S9mix: positive in all strains

+S9mix: positive in all strains

Maximum RAV; 51,177 (−S9, TA100)

41

2,4-dimethyl-4-phenyltetrahydrofuran

82,461–14-1

99.2

Seikodo Ishida Co., ltd.

Ethers

Negative

 

42

2-butoxyethyl acetate

112–07-2

99.4

Tokyo Chemical Industry Co., Ltd.

Esters

Negative

 

43

2-methyl-2-butanethiol

1679-09-0

95

Tronto Research Chemicals Inc.

Thiols

Negative

 

44

2-methylquinoline

91–63-4

98

Tokyo Chemical Industry Co., Ltd.

Not classified ***

Positive

+S9mix: positive in TA100

Maximum RAV; 604 (+S9, TA100)

45

S-methyl methanethiosulfonate

2949-92-0

98.3

Tokyo Chemical Industry Co., Ltd.

Esters

Positive

-S9mix: positive in TA100, WP2uvrA

Maximum RAV: 2913

  1. * Eighteen categories (and other than specified else) classified according to their substructures defined in the Japanese Food Sanitation Law
  2. ** Contradictory result to the exisiting data
  3. *** Not categorized as “flavorchemical” in Japan