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EC number: 212-855-9 | CAS number: 873-94-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
Administrative data
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.
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