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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