3,3,5-trimethylcyclohexan-1-one

Endpoint summary

Description of key information

Short term toxicity to aquatic invertebrates:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 3,3,5-Trimethylcyclohexanone (CAS No. 873-94-9) EC50 value was estimated to be 101.42 mg/l for Daphnia magna for 48 hrs duration. Based on the value, the substance 3,3,5-Trimethylcyclohexanone was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulation.

Toxicity to aquatic algae and cynobacteria:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 3,3,5-trimethylcyclohexan-1-one (CAS No. 873-94-9). EC50 value was estimated to be 117.47 mg/L for Pseudokirchneriella subcapitata in 72 hrs on the basis of effects on growth rate. Based on this value it can be concluded that the substance 3,3,5-trimethylcyclohexan-1-one is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

Additional information

Short term toxicity to aquatic invertebrates:

Various studies for the 3,3,5-Trimethylcyclohexanone (873-94-9) and its read across substance was reviewed to summarize the following information:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 3,3,5-Trimethylcyclohexanone (CAS No. 873-94-9) EC50 value was estimated to be 101.42 mg/l for Daphnia magna for 48 hrs duration. Based on the value, the substance 3,3,5-Trimethylcyclohexanone was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulation.

Another prediction for the test substance 3,3,5-trimethylcyclohexan-1-one was done by using Danish QSAR. Based on the average value of both models (Leadscope Enterprise model and SciMatics SciQSAR model), the result were predicted in Battery model. Based on the QSAR prediction done using the Danish (Q)SAR Database, the 48 hours EC50 was estimated to be 131.3792 mg/l on Daphnia Magna for substance 3,3,5-trimethylcyclohexan-1-one with immobilization effects. Thus based on this value it can be concluded that the substance is not classified as aquatic acute category as per the criteria of CLP regulation.

In an experimental supporting study for RA (CAS No. 78-59-1) from J-check, Short term toxicity testing to Aquatic invertebrate was conducted for the substance 3,5,5-trimethylcyclohex-2-enone as per the OECD Guideline 202 (Daphnia sp., Acute Immobilisation Test and Reproduction Test). The duration of the test was 48hrs under static condition. EC50 value for 3,5,5-trimethylcyclohex-2-enone  (CAS No. 78-59-1) was determined to be 224 mg/l for Daphnia magna for 48 hrs duration on the basis of immobilistaion. Based on the value, the substance 3,5,5-trimethylcyclohex-2-enone was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulation.

Another experimental study for RA (CAS No. 78-59-1) is from Environmental Health Criteria Monographs (EHCs) where Short term toxicity testing to Aquatic invertebrate was conducted for the substance 3,5,5-trimethylcyclohex-2-enone. The duration of the test was 48hrs under static condition. EC50 value for 3,5,5-trimethylcyclohex-2-enone (CAS No. 78-59-1) was determined to be 120 mg/l for Daphnia magna for 48 hrs duration on the basis of immobilistaion. Based on the value, the substance 3,5,5-trimethylcyclohex-2-enone was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulation.

Based on the value of 3,3,5-trimethylcyclohexan-1-one (873-94-9) and read across chemical 3,5,5-trimethylcyclohex-2-enone (78-59-1) which has 50-60% structural similarity, it was concluded thatthe test substance3,3,5-trimethylcyclohexan-1-one is non toxic to aquatic invertebrates and can be considered to be not classified as per the CLP classification criteria.

Toxicity to aquatic algae and cynobacteria:

Various studies for the 3,3,5-Trimethylcyclohexanone (873-94-9) and its read across substance was reviewed to summarize the following information:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 3,3,5-trimethylcyclohexan-1-one (CAS No. 873-94-9). EC50 value was estimated to be 117.47 mg/L for Pseudokirchneriella subcapitata in 72 hrs on the basis of effects on growth rate. Based on this value it can be concluded that the substance 3,3,5-trimethylcyclohexan-1-one is considered to be non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

In an experimental supporting study for RA (CAS No. 78-59-1), Short term toxicity testing to Aquatic algae was conducted for the substance 3,5,5-trimethylcyclohex-2-enone by Ministry of the Environment in Japan. The duration of the test was 72 hrs. EC50 value of 3,5,5-trimethylcyclohex-2-enone (CAS No. 78-59-1) for algae was determined to be 230 mg/l on the basis of growth rate and 110 mg/l on the basis of biomass for 72 hrs duration. Based on the value, the substance 3,5,5-trimethylcyclohex-2-enone was considered to be non-toxic to aquatic algae and can be considered to be not classified as per the CLP regulation.

Another experimental study for RA (CAS No. 78-59-1) is from Environmental Health Criteria Monographs (EHCs) where Short term toxicity testing to Scenedesmus subspicatus was conducted for the substance 3,5,5-trimethylcyclohex-2-enone. The duration of the test was 72 hrs. EC50 value of 3,5,5-trimethylcyclohex-2-enone (CAS No. 78-59-1) for algae was determined to be 475-476 mg/l on the basis of cell count and 524-527 mg/l on the basis of biomass for 72 hrs of duration. Based on the value, the substance 3,5,5-trimethylcyclohex-2-enone was considered to be non-toxic to aquatic algae and can be considered to be not classified as per the CLP regulation.

Based on the value of 3,3,5-trimethylcyclohexan-1-one (873-94-9) and read across chemical 3,5,5-trimethylcyclohex-2-enone (78-59-1) which has 50-60% structural similarity, it was concluded that the test substance 3,3,5-trimethylcyclohexan-1-one is non toxic to aquatic algae and can be considered to be not classified as per the CLP classification criteria.