Sodium phenylacetate

Endpoint summary

Description of key information

Short-term toxicity to fish

The estimated 96 hrs EC50 value ofSodium phenylacetateon Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is305.88mg/L. It can be concluded from the estimated value that theSodium phenylacetateis not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.

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 closest read across substances, the toxicity on invertebrate was predicted sodium 2-phenylacetate (CAS: 114-70-5). Effect concentration i.e EC50 value was estimated to be 274.09 mg/l for Daphnia magna for 48 hrs duration. It was concluded that the sodium 2-phenylacetate (CAS: 114-70-5) was likely to be not toxic to aquatic invertebrate, hence it can be considered to be “not Classified” as per the CLP classification criteria for aquatic environment.

Toxicity to aquatic algae and cyanobacteria

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the toxicity on aquatic algae predicted for sodium 2-phenylacetate (CAS: 114-70-5). Effect concentration i.e EC50 value estimated to be 100.88 mg/l for Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72 hrs duration. It can be concluded that the sodium 2-phenylacetate (CAS: 114-70-5) is likely to be not toxic to aquatic algae, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.

Additional information

Short-term toxicity to fish

Following studies includes the predicted study of target chemical to conclude theSodium phenylacetate (CAS: 114 -70 -5) toxicity towards the fish is summarized as below;

The estimated 96 hrs EC50 value of Sodium phenylacetateon Fathead minnow by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is 305.88 mg/L. It can be concluded from the estimated value that theSodium phenylacetateis not toxic to aquatic environment and can be cosidered as "not classified" as per CLP regulation.

The above study is supported by the similar predicted study from EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to fish was predicted to be 3647.34 mg/l for Sodium phenylacetate in 96 hrs. Based on the LC50 value, it can be concluded that the substance Sodium phenylacetate is not toxic to aquatic environment.

Another study from EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to fish was predicted to be 4576.04 mg/l for Sodium phenylacetate in 96 hrs. Based on the LC50 value, it can be concluded that the substance Sodium phenylacetate is not toxic to aquatic environment.

Thus based on the effect concentrations which is in the range 305.88 mg/l to4576.04 mg/lgive the conclusion that test substanceSodium phenylacetate (CAS: 114 -70 -5)is likely to be non-toxic to aquatic fish at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not classified” as per the CLP classification criteria.

Short-term toxicity to aquatic invertebrates

Following studies includes the predicted data and experimental data of target chemical and stucturally similar read across chemical to conclude the sodium 2-phenylacetate (CAS: 114-70-5) toxicity towards the aquatic invertebrate is summarized 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 closest read across substances, the toxicity on invertebrate was predicted sodium 2-phenylacetate (CAS: 114-70-5). Effect concentration i.e EC50 value was estimated to be 274.09 mg/l for Daphnia magna for 48 hrs duration. It was concluded that the sodium 2-phenylacetate (CAS: 114-70-5) was likely to be not toxic to aquatic invertebrate, hence it can be considered to be “not Classified” as per the CLP classification criteria for aquatic environment.

The above predicted data of target chemical is supported by the stucturally similar read across chemical phenylacetic acid (CAS: 103-82-2) from Chemosphere 2003, suggests that theshort term toxicity of read across phenylacetic acid to Daphnia magna was assessed during a 24-hour static test. The carrier of fluoranthene and its metabolites was recommended standard fresh water, composed for the test as follows (mg/l): NaHCO3 ¼ 48; CaSO4 2H2O ¼ 30; MgSO4 7H2O ¼ 30 and KCl ¼ 2. The pH was adjusted to 7.40.2 and the solution was aerated until the dissolved oxygen concentration has reached saturation. Thus, he Effective concentration (EC50) value of phenylacetic acid in aquatic invertebrate (Thamnocephalus platyurus) in a 24 hr study on immobility effect was found to be 236 mg/L.Thus,considering the CLP Criteria for aquatic classification of the substance , it is concluded that phenylacetic acid does not exhibit short term toxicity to aquatic invertebrate (Thamnocephalus platyurus).

Similar study for another structurally similar read across Succinic acid(CAS: 110-15-6) from Journal - Water Pollution Control Federation, 1980 inidicates that the Short-term toxicity to aquatic invertebrates test was carried out for 48 hr under static condition to study the effects of Succinic acid on aquatic environment.Immobility Intoxication effect of Daphnia magna was measured during the test.

The Effective concentration EC50 to 50% of 5Daphnia magna at 48 h is 374 mg/l. It can be concluded from the value that the Succinic acid is not toxic to the aquatic environment.

Thus based on the effect concentrations which is in the range 236 mg/l to374 mg/lgive the conclusion that test substancesodium 2-phenylacetate (CAS: 114-70-5)is likely to be non-toxic to aquatic invertebrate at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not classified” as per the CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria

Following studies includes the predicted data and experimental data of target chemical and stucturally similar read across chemical to conclude the sodium 2-phenylacetate (CAS: 114-70-5) toxicity towards the aquatic algae is summarized 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 closest read across substances, the toxicity on aquatic algae predicted for sodium 2-phenylacetate (CAS: 114-70-5). Effect concentration i.e EC50 value estimated to be 100.88 mg/l for Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72 hrs duration. It can be concluded that the sodium 2-phenylacetate (CAS: 114-70-5) is likely to be not toxic to aquatic algae,.

Similar predicted data for the target chemical from Danish (Q)SAR Database 2017, indicates that the estimated 96 hrs EC50 value of Sodium phenylacetate on Pseudokirchneriella s. by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database is 146.92 mg/L. It can be concluded from the estimated value that the Sodium phenylacetate is not toxic to aquatic environment .

Another predicted data from ECOSAR v.1.11 model inidicates that the On the basis of EPI suite, ECOSAR version 1.1, the LC50 value for short term toxicity to aquatic algae was predicted to be 1176.47 mg/l for Sodium phenylacetate in 96 hrs. Based on the EC50 value, it can be concluded that the substance Sodium phenylacetate is not toxic to aquatic environment .

The above predicted data is supported by the exeprimental data of structurally similar read across benzyl butyrate (CAS: 103-37-7) from UERL LAB. suggests that theeffect of test item Benzyl butyrate, CAS No. 103-37-7 was studied on the growth of fresh water green algaChlorella vulgaris.The study was conducted 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 test item 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 test item. EC50 calculated graphically through probit analysis was observed to be >200mg/L. Based on this value it can be concluded that the substance Benzyl butyrate is considered to be non-toxic to aquatic environment .

Another experimental study for the read acrossbenzyl acetate (CAS: 140-11-4) from Food and Chemical Toxicology (2015), suggests that

A 72 h algae inhibition test was conducted according to theOECD Guideline 201 (Alga, Growth Inhibition Test).Based on the effect on growth rate of the test organism, the 72 hrs EC50 value was determined to be 110 mg/l, respectively. Thus,based on the EC50 value, it can be concluded that the substance Benzyl acetatecan be considered as non-toxic to aquatic organisms.

Thus based on the effect concentrations which is in the range 100.88 mg/l to1176.47 mg/lgive the conclusion that test substancesodium 2-phenylacetate (CAS: 114-70-5)is likely to be non-toxic to aquatic algae at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not classified” as per the CLP classification criteria.