Registration Dossier
Registration Dossier
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EC number: 229-352-5 | CAS number: 6485-40-1
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic /sediments:
Using BCFBAF Program (v3.00) model of EPI suite (2019) the estimated bio concentration factor (BCF) for test chemical is 28.51 L/kg wet-wt at 25 °C which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical is non bioaccumulative in food chain.
Additional information
Bioaccumulation: aquatic /sediments:
Various predicted data for the test chemical and supporting weight of evidence study for its structurally similar read across chemical were reviewed for the bioaccumulation end point and their results are summarized as below:
The first weight of evidence study was done by using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite 2019) the estimated bio concentration factor (BCF) for test chemical is 28.51 L/kg wet-wt at 25 °C.
In another study by Using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor at range pH 1-14 of the test chemical was estimated to be 31.0 dimensionless.
In next study the Bioconcentration factor (BCF) for test chemical was predicted in aquatic organisms by Scifinder database at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test chemical at pH 1-10 and temperature 25 °C was estimated to be 31.2 dimensionless.
Another weight of evidence study was reviewed in this the Bioconcentration factor (BCF) for test chemical was predicted in aquatic organisms by Chemspider- ACD/PhysChem Suite at pH 5.5 and pH 7.4.The Bioconcentration factor (BCF) of test chemical at pH 5.5 and pH 7.4 was estimated to be 79.31 dimensionless
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 4.53 dimensionless . The predicted BCF result was based on the 5 OECD principles.
Further the supporting weight of evidence study was reviewed from authoritative database in this study The BCF value of test chemical estimated was 30 dimensionless by using log Kow of 3.07 and regression derived equation and it is far less than 2000 criteria so it is concluded that test chemical is non bioaccumulative.
Last weight of evidence study was also experimental study done from same authoritative database as mentioned above in this study The BCF value of test chemical estimated was 480 dimensionless by using log Kow of 4.57 and regression derived equation and it is far less than 2000 criteria so it is concluded that test chemical is non bioaccumulative.
On the basis of above results for test chemical it is concluded that the BCF value of test chemical ranges from 4.53 to 79.31 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical test chemical is expected to be non bioaccumulative in the food chain.
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