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Environmental fate & pathways

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Description of key information

Bioaccumulation in aquatic and Sediments:

From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application)  V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical)  the bioaccumulation i.e BCF for test substance sodium 2-phenylacetate (CAS no.114 -70 -5) was estimated to be 3.65 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance sodium 2-phenylacetate is non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000.

Additional information

Bioaccumulation in aquatic and Sediments:

Predicted data for the target compound sodium 2-phenylacetate (CAS No: 114-70-5) and supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:

In a prediction done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the bioaccumulation i.e BCF for test substance sodium 2-phenylacetate (CAS no.114 -70 -5) was estimated to be 3.65 dimensionless .The predicted BCF result is based on the 5 OECD principles.

 

In the supporting weight of evidence study from HSDB ( Hazardous Substance Data Bank, 2017).The BCF value of read across chemical 2-phenylacetic acid (CAS no. 103-82-2) was estimated was 3 dimensionless by using log Kow of 1.41 and regression derived equation.

 

In another supporting weight of evidence study from same source as mentioned above (HSDB) The BCF value for read across chemical benzyl acetate (CAS 140-11-4) estimated was 18 dimensionless by using a log Kow of 1.96 and a regression derived equation.

 

On the basis of above results for target chemical sodium 2-phenylacetate (CompTox Chemistry Dashboard, 2017) and for its read across substance from authoritative database HSDB, it can be concluded that the BCF value of test substance sodium 2-phenylacetate ranges from 3 to 18 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical sodium 2-phenylacetate is not expected to bioaccumulate in the food chain.