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EC number: 204-052-7 | CAS number: 114-70-5
Endpoint summary
Administrative data
Description of key information
Adsorption / Desorption :
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 adsorption coefficient i.e KOC for test substance sodium 2 -phenylacetate (CAS no.114-70-5) was estimated to be 40.5 L/kg (log Koc =1.6074) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance Sodium 2 -phenylacetate has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
Additional information
Adsorption / Desorption :
Various predicted data for the target compound of sodium 2-phenylacetate (CAS No: 114-70-5) and its supporting weight of evidence study for it’s read cross substance were reviewed for the adsorption 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 adsorption coefficient i.e KOC for test substance sodium 2 –phenylacetate (CAS no.114-70-5) was estimated to be 40.5 L/kg (log Koc =1.6074). The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance Sodium 2 –phenylacetate has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
In a supporting study from authoritative database HSDB (Hazardous Substance Data Bank, 2017) the Koc values for read across chemical 2 phenylacetic acid (CAS no. 103-82-2) obtained were 31, 26 and 28 dimensionless and log Koc are 1.49, 1.41 and 1.44 in three different types of soil namely podzol, alfisol and sediment from lake constance respectively. These log Koc values suggests that 2 phenylacetic acid is expected to have negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
On the basis of above overall results for target chemical sodium 2-phenylacetate (CAS No: 114-70-5) (from Comptox Chemistry Dashboard, 2017), it can be concluded that the Koc value of test substance sodium 2-phenylacetate ranges from 26 to 40.5 and log Koc ranges from 1.41 to 1.60 indicating that the test chemical sodium 2-phenylacetate has negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to groundwater.
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