3,3,5-trimethylcyclohexan-1-one

Short-term toxicity to aquatic invertebrates

Description of key 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.

Key value for chemical safety assessment

Fresh water invertebrates

Fresh water invertebrates

Effect concentration:

101.42 mg/L

Additional information

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 that the 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.