Registration Dossier
Registration Dossier
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EC number: 203-013-1 | CAS number: 102-20-5
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. The bioconcentration factor (BCF) of test chemical was estimated to be 309.6 L/kg whole body w.w (at 25 °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 study for its structurally and functionally similar read across chemical were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done using the BCFBAF Program of 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 309.6 L/kg whole body w.w (at 25 °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.
Bioconcentration Factor (BCF) of test chemical was estimated using Chemspider database. The bioconcentration factor of test chemical was estimated to be 746.06 at pH both 5.5 and 7.4, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
Another predicted data was estimated using 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 574 at pH range 1-10 respectively (at 25 °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.
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 343 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test chemical is non-bioaccumulative in nature.
In a supporting weight of evidence study from authoritative database, the bioaccumulation study was conducted for estimating the BCF (bioaccumulation factor) value of test chemical. The bioaccumulation factor (BCF) value was calculated using an estimated log Kow of 4.1 and a regression derived equation. The BCF (bioaccumulation factor) value of test chemical was determined to be 270 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is considered to be non-accumulative in aquatic organisms.
Above studies further supported by this study from authoritative databases. Principle of this study was to determine the the BCF value of test chemical using a log Kow of 1.96 and a regression-derived equation. The BCF value of test chemical was determined to be 18 dimensionless by using a log Kow of 1.96 and a regression-derived equation. By this BCF value of the test chemical, it is concluded that this test chemical in non bioaccumulative in nature as this value is far less than 2000 criteria.
On the basis of above results for test chemical, it can be concluded that the BCF value of test chemical was evaluated to be upto 746.06, 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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