Registration Dossier
Registration Dossier
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EC number: 211-932-4 | CAS number: 713-95-1
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment
BCFBAF model of Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical (2018). The bioconcentration factor (BCF) of test chemical was estimated to be 102.1 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment
Various predicted data of the test chemical and supporting weight of evidence studies for its structurally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In aprediction done using theBCFBAF Programof Estimation Programs Interface was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 102.1 L/kg whole body w.w (at 25 deg C).
In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), theBio-concentration Factor of the test chemical was estimated to be 260 at pH range 1-14, respectively.
SciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 264 at pH range 1-10 respectively (at 25 deg 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 10.8 dimensionless . The predicted BCF result based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the test chemical, the bioaccumulation experiment was conducted in fish for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 2.83 and a regression derived equation. The BCF (bioaccumulation factor) value test substance in fish was determined to be 34 dimensionless.
For the test chemical, the bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical (authoritative database, 2017). The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 3.32 and a regression derived equation. The BCF (bioaccumulation factor) value test substance was determined to be 72 dimensionless.
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 10.8 to 264, respectively,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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