Registration Dossier
Registration Dossier
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EC number: 201-714-7 | CAS number: 86-98-6
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for test chemical was 105.3 L/kg on the basis of whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that test chemical was not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Various predicted data for the test chemical were reviewed for the bioaccumulation end point which are summarized as below:
From BCFBAF (v3.00) model of EPI suite Program, the estimated bio concentration factor (BCF) for test chemical was 105.3 L/kg on the basis of whole body w.w which does not exceed the bio concentration threshold of 2000. Thus it is concluded that test chemical was not expected to bioaccumulate in the food chain.
Based on available data from authoritative database, the bio concentration factor (BCF) for test chemical was estimated as 224.44 at pH 5.5 and 224.51 at pH 7.4 which does not exceed the bio concentration threshold of 2000. Thus it is concluded that test chemical was not expected to bioaccumulate in the food chain.
Above data further supported by the third weight of evidence study 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 chemical was estimated to be 7.05 dimensionless the predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test chemical was non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000.
Thus based on the above information for bioaccumulation endpoint, it can be concluded that the BCF of the test substance was expected to be non Bioaccumulative in aquatic environment as per their BCF values does not exceeds the threshold of 2000.
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