US EPA

1815842 

Technical Report 

LACK OF MUTAGENICITY TO S.TYPHIMURIUM OF NEOPENTYL BROMIDE AND PENTAERYTHRITYL TETRACHLORIDE: RELATION TO CHEMICAL STRUCTURE 

Ashby, J; Callander, RD; Gilman, D 

1984 

1 

Mutation Research
ISSN: 0027-5107
EISSN: 1873-135X 

EMICBACK/52813 

71 

2-3 

71-74 

Neopentyl-bromide (630171) and pentaerythrityl-tetrachloride (3228997) were tested for mutagenic behavior. The Ames assay was conducted on both test compounds in the absence of an auxiliary metabolic system using six Salmonella-typhimurium strains. Strain specific positive control chemicals were used; 4-chloromethylbiphenyl was used as a chemical class positive control. The test compounds were also evaluated with Aroclor induced rat liver S9 mix with strains TA-98 and 100. A chemical alkylation test was run using 4-nitrobenzylpyridine and either triethylamine or sodium-carbonate as base. Up to 12 hours were allowed for formation of blue color. Space filling models of the test compounds and camphor were derived by computer graphics; overall molecular dimensions were derived from Van de Waals radii. Comparisons were made between pentaerythrityl-tetrachloride and camphor. The test compounds were nonmutagenic in all the tester strains. Positive controls responded as expected. The test compounds did not show activity in the chemical alkylation test. Maximum and minimum atomic dimensions of pentaerythrityl-tetrachloride were 9.0 and 5.5 Angstroms, respectively, using Van de Waals dimensions. Camphor dimensions were 8.1 and 6.7 Angstroms. Pentaerythrityl-tetrachloride had a camphoraceous/musky odor, and it and camphor had similar spherical structures. The authors conclude that not all compounds containing a chloromethyl group are mutagenic. The features of a chemical structure that favor the expression of one biological response may also prevent another biological activity.