3,3,5-trimethylcyclohexan-1-one

Endpoint summary

Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information

Genetic toxicity in vitro:

Gene mutation was predicted for 3,3,5-trimethylcyclohexan-1-one using SSS QSAR prediction database, 2017. 3,3,5-trimethylcyclohexan-1-one failed to induce mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with S9 metabolic activation system and hence is predicted to not likely classify for gene mutation in vitro.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (negative)

Genetic toxicity in vivo

Endpoint conclusion

Endpoint conclusion:

no study available

Additional information

Genetic toxicity in vitro:

Predicted key study for the target chemical 3,3,5-trimethylcyclohexan-1-one (CAS No. 873-94-9) and various supporting studies were reviewed to summarize the following information:

In a key study for target chemical, gene mutation was predicted for using SSS QSAR prediction database, 2017. 3,3,5-trimethylcyclohexan-1-one failed to induce mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 with S9 metabolic activation system and hence is predicted to not likely classify for gene mutation in vitro.

In supporting study, similarly gene mutation was predicted for 3,3,5-trimethylcyclohexan-1-one using SSS QSAR prediction database, 2017. 3,3,5-trimethylcyclohexan-1-one failed to induce mutation in Salmonella typhimurium strains TA 1535, TA 1537, TA 98, TA 100 and TA 102 without S9 metabolic activation system and hence is predicted to not likely classify for gene mutation in vitro using SSS QSAR prediction database, 2017

Another gene mutation toxicity was predicted for 3,3,5-trimethylcyclohexan-1-one using the battery approach from Danish QSAR database (2017). The study assumed the use of Salmonella typhimurium bacteria in the Ames test. The end point for gene mutation has been modeled in the Danish QSAR using the three software systems Leadscope, CASE Ultra and SciQSAR.Based on predictions from these three systems, a fourth and overall battery prediction is made.The battery prediction is made using the so called Battery algorithm. With the battery approach it is in many cases possible to reduce “noise” from the individual model estimates and thereby improve accuracy and/or broaden the applicability domain. 3,3,5-trimethylcyclohexan-1-one was assumed to not induce mutation in Salmonella typhimurium by the Ames assay performed and hence the chemical 3,3,5-trimethylcyclohexan-1-one is predicted to not classify as a gene mutant in vitro. 

Supporting the above predictions in an experimental study, the mutagenic potential of 3,3,5-trimethylcyclohexan-1-one was examined using Salmonella typhimurium strains TA1535, TA1537, TA1538, TA98 and TA100 at concentrations of 25 to 2500 μg per plate. There was no increase in the number of revertants at the concentrations tested, either with or without rat liver S9 fraction. Hence, Genetic toxicity for the substance 3,3,5-trimethylcyclohexan-1-one was determined to be negative to Salmonella typhimurium strains TA1535, TA1537, TA1538, TA98 and TA100 both with and without rat liver S9 fraction activation. Therefore it is predicted to not likely classify for gene mutation in vitro.

Based on the above results for the target chemical, it can be concluded that the substance 3,3,5-trimethylcyclohexan-1-one does not classify as in vitro genetically toxic substance.

Justification for classification or non-classification

Based on the above studies and predictions on 3,3,5-trimethylcyclohexan-1-one, it can be concluded that 3,3,5-trimethylcyclohexan-1-one can be considered as non mutagenic in nature as per CLP regulation.