Registration Dossier
Registration Dossier
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EC number: 203-937-5 | CAS number: 112-12-9
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
The bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a logKow of 4.09 and a regression-derived equation. The estimated BCF (bioaccumulation factor) valueof test chemical was determined to be 28 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical is considered to be non-accumulative in aquatic organisms.
Additional information
Bioaccumulation: aquatic / sediment
Various data of the test chemical were reviewed for the bioaccumulation end point which are summarized as below:
In a study from authoritative databases, the bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using a logKow of 4.09 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of test chemical was determined to be 28 dimensionless.
In a prediction done using the BCFBAF model (v3.01) of Estimation Programs Interface, the bioconcentration factor (BCF) of test chemical was predicted. The bioconcentration factor (BCF) of test chemical was estimated to be 9.801 L/kg whole body w.w at 25°C.
Using Chemspider database, the bioconcentration Factor (BCF) of test chemical was evaluated. The bioconcentration factor of test chemical was estimated to be 873.9 dimensionless at both pH 5.5 and 7.4 respectively.
Further, SciFinder database (American Chemical Society (ACS) was used for predicting the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 686 dimensionless at pH range 1-10 respectively at 25°C.
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 18.5 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test chemical was considered to be non-bioaccumulative in nature.
On the basis of above results for test chemical, it can be concluded that the BCF value of test chemical was evaluated to be ranges from 9.8 to 873.9, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
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