Cinnamyl butyrate

Endpoint summary

Description of key information

Short term toxicity to aquatic invertebrate:

Short term toxicity to test chemical (2E)-3-phenylprop-2-en-1-yl butanoate was determined bu using OECD QSAR tool box v3.3 using seven closest read across chemical using log Kow as primary descriptor. The EC50 value was estimated to be 197.075  mg/L when test chemical (2E)-3-phenylprop-2-en-1-yl butanoate was exposed to daphnia magna for 48hrs. On the basis of EC50 value it is concluded that this test chemical is considered as not classified according to CLP classification criteria.

Toxicity to aquatic algae:

Toxicity of test chemical (2E)-3-phenylprop-2-en-1-yl butanoate (CASno. 103-61-7)  was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the seven closest read across substances. When test chemical (2E)-3-phenylprop-2-en-1-yl butanoate was exposed for 72 hrs on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) alga, EC50 value was estimated to be 147.846 mg/L. On the basis of EC 50 value it is concluded that this test chemical is considered to be not classified according to CLP classification criteria.

Additional information

Short term toxicity to aquatic invertebrate:

Results of predicted data for target chemical (2E)-3-phenylprop-2-en-1-yl butanoate (CAS no. 103-61-7) and experimental studies for its structurally similar read across chemicals for short term toxicity to aquatic invertebrate endpoint are summarized below.

In first weight of evidence study the Short term toxicity of test chemical (2E)-3-phenylprop-2-en-1-yl butanoate was determined by using OECD QSAR tool box v3.3 using seven closest read across chemical using log Kow as primary descriptor. The EC50 value was estimated to be 197.075 mg/L when test chemical (2E)-3-phenylprop-2-en-1-yl butanoate was exposed to daphnia magna for 48hrs. On the basis of EC50 value it is concluded that this test chemical is considered as not classified according to CLP classification criteria.

Next weight of evidence study was done from the peer reviewed journal Pakistan J. Zool., vol. 39(5), pp. 339-344, 2007 in this study the naturally occurring compounds including read across chemical 2-phenylethyl propanoate structurally similar to target chemical have been tested for molluscicidal activity against the fresh water snail, Biomphalaria alexandrina. The recommended World Health Organization bioassay procedure (WHO, 1965), was used for the evaluation of 2-phenylethyl propanoate on B. alexandrina. For this experiment the Biomphalaria alexandrina species 8mm ± 2mm diameter were collected from fresh water ponds at Kafr El-Dwar, Behera Governorate, Egypt and were maintained in glass aquaria oxygenated for one hour daily, one week before testing. The tests were performed in 150 mL glass beakers with ten adult healthy snails per assay. Each chemical was mixed with Tween 20, to ensure complete solubility of the chemical in water. The mixture was added to the glass beaker filled up to 100 ml of the dechlorinated water to give the desired concentration (w/v) up to 400 μg/ml of read cross chemical. The snails were exposed for 24 h to different concentrations of reas across chemical or their mixture with PB and then transferred to dechlorinated water for another 48 h. Percentage kill were recorded after 72 h. Percentage mortality was corrected using Abbott's formula (Abbott, 1925). Toxicity parameters for each treatment were computed according to the probit-analysis method by Finney (1971). According to experimental result the lethal concentration (LC50) value of read across chemical phenethyl propionate in aquatic invertebrate (Biomphalaria alexandrina) in a 72 hr study on the basis of mortality effect was determined to be 296.27 mg/L. It can be concluded from the value that the phenethyl propionate is not toxic to the aquatic invertebrate and can be considered as "not classified" as per the classification criteria.

Last experimental weight of evidence study was done from authoritative database (HSDB, 2017) for read across chemical Butanoic acid, ethyl ester (CAS no. 105-54-4) structuraaly similarly to target chemical in this study the Short term toxicity to aquatic invertebrate Daphnia Magna was determined by exposing it to fresh water containing read across chemical Butanoic acid, ethyl ester in static condition. LC50 value was determined to be 755 mg/L on the basis of mortality of daphnia magna at temperature 20-22 oC and pH 7.6-7.7. Since LC 50 value is greater than 100 mg/L read across chemical Butanoic acid, ethyl ester is considered as not classified according to CLP classification criteria.

By considering results of all the experimental and predicted data studies mentioned above it is concluded that the target chemical (2E)-3-phenylprop-2-en-1-yl butanoate (CAS no. 103-61-7) is non toxic to aquatic invertebrate and considered as not classified according to CLP classification criteria.

Toxicity to aquatic algae:

Results of predicted data for target chemical (2E)-3-phenylprop-2-en-1-yl butanoate (CAS no. 103-61-7) and experimental studies for its structurally similar read across chemicals for toxicity to aquatic algae endpoint are summarized below.

In first weight of evidence study the Toxicity of test chemical (2E)-3-phenylprop-2-en-1-yl butanoate (CAS no. 103-61-7)  was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the seven closest read across substances. When test chemical (2E)-3-phenylprop-2-en-1-yl butanoate was exposed for 72 hrs on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) alga, EC50 value was estimated to be 147.846 mg/L.

Next weight of evidence study was done form UERL study report (2017) in this report the effect of structurally similar read across chemical Benzyl butyrate, CAS No. 103-37-7 was studied on the growth of fresh water green alga Chlorella vulgaris. The study was conducted by following OECD guideline 201- Alga growth inhibition test. The test concentration chosen for the study were 6.25mg/L, 12.5mg/L, 25mg/L, 50 mg/L, 100mg/L and 200mg/L. The test concentrations were prepared using stock solution of the read across chemical using mineral media. The green alga was exposed to the test concentration for a period of 72 hours to observe average specific growth rate and % growth inhibition under the effect of the read across chemical. EC50 calculated graphically through probit analysis was observed to be >200mg/L.

Last weight of evidence study was done from authoritative database (HSDB, 2017) for structurally similar read across chemical in this study the toxicity to aquatic algae and cyanoabacteria Chlorococcales was determined by exposing algae to read aross chemical Butanoic acid, ethyl ester (CAS no. 105-54-4) for 24 hrs. EC 50 value was determined to be 1000 mg/L. Since EC 50 value is greater than 100 mg/L read across chemical Butanoic acid, ethyl ester was considered as not classified according to CLP classification criteria.

By considering results of all the experimental and predicted data studies mentioned above it is concluded that the target chemical (2E)-3-phenylprop-2-en-1-yl butanoate is non toxic aquatic algae  and considered as not classified according to CLP classification criteria.