CAS Chem.name SMILES #Observed Mutagenicity Bioassay - Reference(s) - 53-03-2 Prednisone CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 1192-62-7 2-Acetylfuran CC(=O)c1ccco1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Shinohara, K., Kim, E. H. and Omura, H.; Furans as the mutagens formed by amino-carbonyl reactions; Dev. Food Sci. 13(Amino-Carbonyl React. Food Biol. Syst.): 353-362, 1986 485-47-2 Ninhydrin OC1(O)C(=O)c2ccccc2C1=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Zeiger, E., et. al.; Salmonella Mutagenicity Tests: III. Results From The Testing Of 255 Chemicals; Environ. Mol. Mutagen. 9(Suppl.9):1-110, 1987 505-22-6 1,3-Dioxane C1COCOC1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Haworth, S., Lawlor, T. Mortelmans, K., Speck, W. And Zeiger, E.; Salmonella Mutagenicity Test Results For 250 Chemicals; Environ. Mutagen. 5(Suppl. 1): 3-142, 1983 518-82-1 emodin Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) CCRIS database,Toxnet databases: Westendorf, J., Marquardt, H., Poginsky, B., Dominiak, M., Schmidt, J. And Marquardt, H.; Genotoxicity Of Naturally Occurring Hydroxyanthraquinones; Mutat. Res. 240(1): 1-12, 1990 542-78-9 malondialdehyde;malonaldehyde;3-hydroxy-2-propenal sodium salt O=CCC=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) CCRIS database,Toxnet databases: Marnett, Lj, Hurd, Hk, Hollstein, Mc, Levin, De, Esterbauer, H And Ames, Bn; Naturally Occurring Carbonyl Compounds Are Mutagens In Salmonella Tester Strain TA104;Mutat. Res. 148(1-2):25-34, 1985 111-30-8 Glutaraldehyde O=CCCCC=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 3658-77-3 4-hydroxy-2,5-dimethyl-3(2H)-furanone CC1OC(C)=C(O)C1=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) P&G Inventory; Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 60-51-5 Dimethoate CNC(=O)CSP(=S)(OC)OC in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) National Toxicology program. P&G Inventory 81-54-9 1,2,4-Trihydroxyanthrachinon Oc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) P&G Inventory; Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 50-81-7 Ascorbic acid; Vitamin C OCC(O)C1OC(=O)C(O)=C1O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) P&G Inventory; U.S. Environmental Protection Agency; Mutation Research, 168 (1986) 69-240 820-75-7 N-Diazoacetylglycine hydrazide NNC(=O)CNC(=O)C=[N+]=[N-] in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) U.S. Environmental Protection Agency; Mutation Research, 168 (1986) 69-240 78-98-8 Pyruvaldehyde CC(=O)C=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Aeschbacher, Hu., Wolleb, U., Loliger, J., Spadone, Jc. And Liardon, R.; Contribution Of Coffee Aroma Constituents To The Mutagenicity Of Coffee; Food Chem. Toxicol. 27(4):227-232, 1989 107-22-2 Glyoxal O=CC=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) NTP; Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 431-03-8 2,3-butanedione CC(=O)C(C)=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) NTP; Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 765-87-7 1,2-Cyclohexanedione O=C1CCCCC1=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Dorado, L., Ruiz Montoya, M. And Rodriquez Mellado, Jm.; A Contribution To The Study Of The Structure-Mutagenicity Relationship For Alpha-Dicarbonyl Compounds Using The Ames Test; Mutat. Res. 269(2):301-306, 1992 75464-11-8 butantrone CCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc12 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Mannisto, Pt, Kirkland, D, Viluksela, M And Tikkanen, L; Toxicological Studies With Dithranol And Its 10-Acyl Analogs; Arch. Toxicol. 59(3):180-185, 1986; Kazius J, McGuire R., Bursi R. Journal of Medicinal Chemistry 48 (1), pp. 312-32, 25 501-30-4 kojic acid; 5-hydroxy-2-hydroxymethyl-pyran-4-one OCC1OC=C(O)C(=O)C=1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) CCRIS database,Toxnet databases: Wei, Ci, Huang, Ts, Fernando, Sy And Chung, Kt;Mutagenicity Studies Of Kojic Acid; Toxicol. Lett. 59(1-3):213-220, 1991 118-71-8 3-hydroxy-2-methyl-4-pyrone;maltol CC1OC=CC(=O)C=1O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) D. Kirkland, L. Reeve, D. Gatehouse, P. Vanparys, A core in vitro genotoxicity battery comprising the Ames test plus the in vitro micronucleus test is sufficient to detect rodent carcinogens and in vivo genotoxins, Mutat. Res. 721 (2011) 27-73. 56222-35-6 3-hydroxy-1-nitrosopyrrolidine OC1CCN(C1)N=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) U.S. Environmental Protection Agency; Mutation Research, 168 (1986) 69-240 533-73-3 1,2,4-trihydroxybenzene Oc1ccc(O)c(O)c1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Lin, JK and Lee, SF; Enhancement Of The Mutagenicity Of Polyphenols By Chlorination And Nitrosation In Salmonella Typhimurium; Mutat. Res. 269(2): 217-224, 1992 160818-07-5 (2,4-dihydroxyphenyl)-(4-dimethylaminophenyl)methanone CN(C)c1ccc(C(=O)c2ccc(O)cc2O)cc1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 *10005-22-3 (5R)-5-[(2R)-1,4-dioxaspiro[4.5]decane-2-yl]-3,4-dihydroxyfuran-2(5H)-one OC1[C@H](OC(=O)C=1O)[C@H]1COC2(CCCCC2)O1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 *10006-36-1 N'-(4-aminophenyl)-2-(4-tert-pentylphenoxy)acetohydrazide CCC(C)(C)c1ccc(OCC(=O)NNc2ccc(N)cc2)cc1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 *10008-21-8 2-[2-chloro-4-fluoro-5-(5-hydroxy-1-methyl-1H-pyrazole-3-yl)phenoxy]-N-methylacetamide CNC(=O)COc1cc(c(F)cc1Cl)-c1cc(O)n(C)n1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 *10013-54-8 3-chloropropanoic acid 2-aminoethy hydrochloride Cl_NCCOC(=O)CCCl in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 *10013-54-9 3-chloropropanoic acid 2-isocyanatoethyl ClCCC(=O)OCCN=C=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 *10018-08-9 2-(2-chloro-5-chloroacetyl-4-fluorophenoxy)-N-methylacetamide CNC(=O)COc1ccc(F)c(c1)C(=O)C(Cl)Cl in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 1021394-33-1 3-[N-benzyl-4-[(2-cyano-4-nitrophenyl)azo]anilino]propanoic acid 2-oxopropyl ester CC(=O)COC(=O)CCN(Cc1ccccc1)c1ccc(cc1)\N=N\c1ccc(cc1C#N)[N+]([O-])=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 153831-92-6 N-[(1R)-1-phenylethyl]iminoacetic acid methyl ester COC(=O)\C=N\[C@H](C)c1ccccc1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 19757-97-2 methyl 2-hydroxy-2-methoxyacetate COC(O)C(=O)OC in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 2568-20-9 3-(2-oxocyclohexyl)propanal O=CCCC1CCCCC1=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 35436-57-8 2-hydroxy-2H-pyran-5-one OC1OCC(=O)C=C1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 38768-08-0 tropolone tosylate Cc1ccc(cc1)S(=O)(=O)OC1=CC=CC=CC1=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 400709-86-6 1-(diethoxymethyl)cyclopropane-1-carbaldehyde CCOC(OCC)C1(CC1)C=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 582302-79-2 benzoic acid (2R)-5-oxo-5,6-dihydro-2H-pyran-2-yl ester O=C1CO[C@@H](OC(=O)c2ccccc2)C=C1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 61010-04-6 2-chloro-3-(hydroxymethylidene)-1-cyclohexene-1-ylcarbaldehyde O\C=C1/CCCC(C=O)=C1Cl in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 77458-54-9 1-chloro-3-[2-(4-chlorophenyl)hydrazono]-2-propanone ClCC(=O)\C=N\Nc1ccc(Cl)cc1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 832151-99-2 2,2-dimethylpropanoic acid (1R)-3-chloro-1-methyl-2-oxopropyl ester C[C@@H](OC(=O)C(C)(C)C)C(=O)CCl in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 83710-73-0 2-chloro-1-cyclohexene-1,3-dicarbaldehyde ClC1C(CCCC=1C=O)C=O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019 513-86-0 Acetoin CC(O)C(C)=O in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) Acetoin, CAS No. 513-86-0. NTP, Genetic Toxicity Evaluation of Acetoin in Salmonella/E.coli Mutagenicity Test or Ames Test, Study A17696, 1999. https://manticore.niehs.nih.gov/cebssearch/test_article/513-86-0. CCRIS database,Toxnet databases; Aeschbacher, H.U., Wolleb, U., L?liger, J., Spadone, J.C., Liardon, R., Contribution of coffee aroma constituents to the mutagenicity of coffee. Food Chem. Toxicol., 1989, 27(4), 227-232. 108-46-3 Resorcinol Oc1cccc(O)c1 in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) Resorcinol, CAS No 108-46-3. ECHA, Registration dossier, Study report, 2005. https://echa.europa.eu/sl/registration-dossier/-/registered-dossier/13740/7/7/2/?documentUUID=8dae753e-8496-4733-87df-674705c7dda0 288-32-4 1H-Imidazole C1=CNC=N1 in vitro Ames negative Bacterial Reverse Mutation Assay (e.g. Ames Test) Forster, R., Blowers, Sd., Cinelli, S., Marquardt, H. And Westendorf, J.; Mutagenicity Testing Of Imidazole And Related Compounds; Mutat. Res. 298(2):71-79, 1992 131-56-6 (2,4-dihydroxyphenyl)-phenylmethanone, BP1 Oc1ccc(C(=O)c2ccccc2)c(O)c1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Wang, W.-Q., H.-X. Duan, Zh.-T. Pei, R.-R.- Xu, Ze-T. Qin, G.-C. Zhu, Li-W. Sun, Evaluation by the Ames Assay of the Mutagenicity of UV Filters Using Benzophenone and Benzophenone-1, Int. J. Environ. Res. Public Health 15 (2018), 1907; doi:10.3390/ijerph15091907 131-55-5 2,2',4,4'-Tetrahydroxy-benzophenone, BP2 Oc1ccc(C(=O)c2ccc(O)cc2O)c(O)c1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Addendum to the Final Report on the Safety Assessment of Benzophenones-1, -3, -4, -5, -9, and -11 to Include Benzophenones-2, -6, and -8, JOURNAL OF THE AMERICAN COLLEGE OF TOXICOLOCY Volume 2, Number 5, 1983 Mary Ann Liebert, Inc., Publishers; https://journals.sagepub.com/doi/pdf/10.3109/10915818309140715 105553-32-0 1-(2-Hydroxyimino-3-Oxobutyryl)-2-Methyl-2-Nitroso-1-Phenylhydrazine CC(=O)C(\C(=O)N(c1ccccc1)N(C)N=O)=N/O in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) CCRIS database,Toxnet databases 92379-42-5 2,2',3,4,4'-pentahydroxybenzophenone Oc1ccc(C(=O)c2ccc(O)c(O)c2O)c(O)c1 in vitro Ames positive Bacterial Reverse Mutation Assay (e.g. Ames Test) Division of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html. Divizion of Genetic and Mutagenesis, National Institute of Health Science, Japan. ANEI-HOU, AMES/ QSAR International Collaborative Study; http://www.nihs.go.jp/dgm/amesqsar.html; Last update; June 2019