6-chlorohexan-2-one

Endpoint summary

Additional information

Short-term toxicity to fish:

Various predicted data for the target chemical 6-Chlorohexan-2-one (CAS No. 10226-30-9) were reviewed for short term toxicity to fish endpoint to summarize the following information:

96 hrs aquatic toxicity study (SSS QSAR prediction model, 2016) was conducted to assess toxic effects of the test compound 6-Chlorohexan-2-one (CAS no 10226-30-9) and the results were predicted. The study was based on the effects of the test compound on the fish Poecilia reticulata in a static fresh water system. The predicted data suggests the lethal concentration (LC50) for the test compound 6-Chlorohexan-2-one was estimated to be 326.88168335 mg/L on the basis of mortality.

Other prediction done using the EPI Suite ECOSAR version 1.10, the 96 hours LC50 was estimated to be 315.61 mg/L for fish for substance 6-chlorohexan-2-one with mortality effects.

Whereas, QSAR predictions is done using the Danish (Q)SAR Database and ECOSAR indicate that the 96 hrs LC50 value by three different model i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database was found to be 60.86555 mg/l. Since the test substance is readily biodegradable in nature and the partition coefficient (log Kow) of the test chemical is not ≥ 4 (i.e, reported as 1.49) therefore test chemical can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

Thus based on the above all predicted model results it is concluded that the test substance 6-Chlorohexan-2-one (CAS No. 10226-30-9) is non toxic to fish and thus not consider for the further classification.

Short-term toxicity to aquatic invertebrates:

Various predicted studies for the 6-Chlorohexan-2-one were reviewed to summarize the following information: 

48 hrs aquatic toxicity study (SSS QSAR prediction model, 2016) was conducted to assess toxic effects of the 6-Chlorohexan-2-one (CAS no 10226-30-9) and the results were predicted. The study was based on the effects of the test compound on the Daphnia magna in a static fresh water system. The predicted data suggests the effective concentration (EC50) for the 6-Chlorohexan-2-one was estimated to be980 mg/Lon the basis of mobility.

 

48 hrs aquatic toxicity study (Danish QSAR, 2016) was conducted to assess toxic effects of the 6-Chlorohexan-2-one (CAS no 10226-30-9) and the results were predicted. The study was based on the effects of the test compound on Daphnia magna in a static fresh water system. The predicted data suggests the effective concentration (EC50) for the 6-Chlorohexan-2-one was estimated to be 175.914 mg/l. 

  

48 hrs aquatic toxicity study (EPI suite, ECOSAR version 1.1,2016) was conducted to assess toxic effects of the 6-Chlorohexan-2-one (CAS no 10226-30-9) and the results were predicted. The study was based on the effects of the test compound on the Daphnia magna in a static fresh water system. The predicted data suggests the lethal concentration (LC50) for the 6-Chlorohexan-2-one was estimated to be 171.188 mg/Lon the basis of mobility.

On the basis of results of various predictions, the6-Chlorohexan-2-onecan be considered as not likely to be toxic to aquatic invertebrates at environmentally relevant concentrations and can be classified as non- hazardous as per the criteria of CLP regulation

Toxicity to aquatic algae and cyanobacteria:

Various predicted data for the target chemical 6-Chlorohexan-2-one (CAS No. 10226-30-9) were reviewed to summarize the following information:

72 hrs aquatic toxicity study was predicted (SSS QSAR Prediction model, 2016) to assess toxic effects of the test compound6-Chlorohexan-2-one(CAS No. 10226-30-9) and the results were predicted. The study was based on the effects of the test compound on Pseudokirchnerella subcapitata in a static fresh water system. The predicted data suggests the effective concentration (EC50) for the test compound6-Chlorohexan-2-one(CAS No. 10226-30-9) was estimated to be 243.371 mg/l on the basis of growth rate. . Thus, based on this value, it can be concluded that the test chemical can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

Based on the QSAR prediction done using the EPI Suite ECOSAR version 1.10 (EPI suite, 2016), the 96 hours EC50 was estimated to be 105.05 mg/l on green algae for substance6-Chlorohexan-2-one(CAS No. 10226-30-9) with growth inhibition effects. Thus, based on this value, it can be concluded that the test chemical can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

Estimated 72 hrs EC50 value (Danish QSAR database, 2016) of test substance6-Chlorohexan-2-oneonPseudokirchneriellasubcapitatawas determined by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. Based on inhibition in growth rate of test organismPseudokirchneriellasubcapitata, the estimated 72 hrs EC50 value was found to be 30.991mg/l. Thus, based on this value, it can be concluded that the substance can be considered as toxic to aquatic organisms and thus can be classified as aquatic chronic category 3.Since the test substance is readily biodegradable in nature and the partition coefficient (log Kow) of the test chemical is not ≥ 4 (i.e, reported as 1.49), test chemical can be considered as non-toxic to aquatic organisms and thus cannot be classified as hazardous as per the CLP criteria.

Based on the overall reported results of various study for target substance, it can be concluded that the substance can be classified as not hazardous as per the CLP criteria.

Toxicity to microorganisms:

Various data for the target chemical 6-Chlorohexan-2-one (CAS No. 10226-30-9) and read across were reviewed for toxicity to micro organism endpoint to summarize the following information:

Aquatic toxicity for 48hrs. study was predicted to assess toxic effects of the test compound 6-Chlorohexan-2-one(CAS No. 10226-30-9) and the results were predicted. The study was based on the effects of the test compound on Tetrahymena pyriformis in a static fresh water system. The predicted data suggests the effective concentration (EC50) for the test compound 6-Chlorohexan-2-one(CAS No. 10226-30-9) was estimated to be 1210.713867188 mg/l on the basis of growth inhibition. Thus, based on this value, it can be concluded that the test chemical can be considered as non-toxic to micro organisms and thus cannot be classified as hazardous as per the CLP criteria.

In experimental study the read across substance 2-Nonanone (Cas no. 821-55-6) indicate that the toxicity to micro-organisms study was conducted onTetrahymena pyriformisfor 48 hrs. Stock solutions of test chemical was prepared in dimethyl sulfoxide (DMSO) at conc. of 2.5, 5, 10, 25 or 50 mg/l. The volume of stock solution added to each test flask did not exceed 0.35 ml, an amount that does not alterTetrahymenapopulation growth. Based on growth inhibition of test organism, the IGC50 value was found to be 449 mg/l. (SAR end QSAR in Environmental Research, Vol. 3, pp. 27-36, 1995)

Other experimental result from Toxicology Methods, Vol. 7, Pg. no. 289-309, 1997 for read across 2-Octanone (Cas no. 111-13-7) indicate that the Toxicity to micro-organisms study was conducted onTetrahymena pyriformisstrain GL for 40 hrs. The assay was conducted in a buffered medium under static conditions.The 50% inhibitory growth concentration in mg/l (IGC50) and the 95% fiducial interval are determined for each test compound. The IGC50 was calculated with the probit procedure. Based on growth inhibition of test organism, the IGC50 value was found to be 181.1 and 90.7 mg/l, respectively.

From overall above available results the it is concluded that the test substance 6-Chlorohexan-2-one (CAS No. 10226-30-9) is non toxic to micro organisms.