Isopentyl benzoate

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 forIsopentyl Benzoate (94-46-2). EC50 value was estimated to be 18.3 mg/l for Daphnia magna for 48 hrs duration.

Toxicity to aquatic algae and cyanobacteria

Aim of this study was to evaluate the nature of chemical test chemical when comes in contact with the test organism Desmodesmus subspicatus (previous name: Scenedesmus subspicatus). Test was conducted according to the OECD guideline 201. The stock solution 80mg/L was prepared by dissolving colourless liquid in OECD growth medium / reconstituted water. Test solutions of required concentrations were prepared by mixing the stock solution of the test sample with OECD growth medium and inoculum culture.Various concentration were used.

With the test substance one positive control Potassium dichromate (K2Cr2O7) was also run simultaneously. After the exposure of chemical, effect concentration EC50 was calculated using nonlinear regression by the software Prism 4.0. Effect on the growth of algae was determine after an exposure period of 72 hrs.

The median effective concentration (ErC50) for the test substance , in algae was determined to be 15.1 mg/L on the basis of growth rate inhibition effects in a 72 hour study. Based on the ErC50 value, which indicates that the substance is likely to be hazardous to aquatic algae and can be classified as aquatic chronic 3 category as per the CLP classification criteria.

Additional information

Short term toxicity to aquatic invertebrates

Short term toxicity to aquatic invertebrates was summaries with two prediction studies for Isopentyl Benzoate (94-46-2) and two experimental studies with read across are as follows.

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 forIsopentyl Benzoate (94-46-2). EC50 value was estimated to be 18.3 mg/l for Daphnia magna for 48 hrs duration.

Prediction done by EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 3.004mg/l for Isopentyl Benzoate (94-46-2) in 48 hrs.Based on the value, the chemical was considered to be toxic to aquatic invertebrates but it was readily biodegradable in nature hence, can be considered to be not classified as per the CLP regulations.

Short term toxicity to aquatic invertebrates was performed in functionally related read across Benzoic acid, methyl ester (93-58-3) from High Production Volume Information System (HPVIS), 1997 according to the OECD guideline 202 in Daphnia magna for 48 hrs at different nominal concentrations as mg/L: 9.38, 18.8, 37.5, 75, 150, and 300 mg/L. The test was performed in duplicates. Freshwater and solvent controls were also tested. Ten Daphnia magna were added in pairs. After the experiment , the EC 50 value for Benzoic acid, methyl ester was determined to be 32.1 mg/l. Based on value, the Benzoic acid, methyl ester was considered to be toxic to aquatic invertebrates but as it was readily biodegradable it can considered to be not classified as per the CLP regulations.

Another functionally related read across 1-[2-(benzoyloxy)propoxy]propan-2-yl benzoate (27138-31-4) was performed in Daphnia magna from High Production Volume Information System (HPVIS),1996 for 48 hrs at different nominal concentrations as mg/L: 1.0, 2.2, 4.6, 10, 22, 46 and 100 mg/L. The test was performed in duplicates. Freshwater were used for experiment. After the experiment, the EC 50 value for 1-[2-(benzoyloxy)propoxy]propan-2-yl benzoate was determined to be 19.31 mg/l. Based on value, the

1-[2-(benzoyloxy)propoxy]propan-2-yl benzoate was considered to be toxic to aquatic invertebrates but as it was readily biodegradable it can considered to be not classified as per the CLP regulations.

Based on the above data and studies of functionally related read across chemicals it can be considered that all the weight of evidence studies supported the classifications and on the basis of thatIsopentyl Benzoate (94-46-2) was considered to be toxic to aquatic invertebrates but it was readily biodegradable in nature hence, can be considered to be not classified as per the CLP regulations.

Toxicity to aquatic algae and cyanobacteria

Aim of this study was to evaluate the nature of chemical test chemical when comes in contact with the test organism Desmodesmus subspicatus (previous name: Scenedesmus subspicatus). Test was conducted according to the OECD guideline 201. The stock solution 80mg/L was prepared by dissolving colourless liquid in OECD growth medium / reconstituted water. Test solutions of required concentrations were prepared by mixing the stock solution of the test sample with OECD growth medium and inoculum culture.Various concentration were used.

With the test substance one positive control Potassium dichromate (K2Cr2O7) was also run simultaneously. After the exposure of chemical, effect concentration EC50 was calculated using nonlinear regression by the software Prism 4.0. Effect on the growth of algae was determine after an exposure period of 72 hrs.

The median effective concentration (ErC50) for the test substance , in algae was determined to be 15.1 mg/L on the basis of growth rate inhibition effects in a 72 hour study. Based on the ErC50 value, which indicates that the substance is likely to be hazardous to aquatic algae and can be classified as aquatic chronic 3 category as per the CLP classification criteria.

Thus, based on the overall reported results for target chemical 3-methylbutyl benzoate(OECD QSAR toolbox version 3.3 and EPI suite, 2017) and for its read across substance (from UERL study report and secondary source), it can be concluded that the test substance 3 -methylbutyl benzoate can be considered as non-toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.