Registration Dossier
Registration Dossier
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EC number: 211-889-1 | CAS number: 705-86-2
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance has a low potential for bioaccumulation based on log Kow <=3
Reference
Description of key information
BCFBAF model (v3.01) of Estimation Programs Interface prediction program (2018) was used to predict the bioconcentration factor (BCF) of test chemical. The bioconcentration factor (BCF) of test chemical was estimated to be 22.95 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
Key value for chemical safety assessment
- BCF (aquatic species):
- 22.95 L/kg ww
Additional information
Various predicted data of the test chemical were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done using the BCFBAF 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 22.95 L/kg whole body w.w (at 25 deg C).
Using Bio-concentration Factor module(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017)),bio-concentration factor over the entire pH scale (pH 1-14) of the test chemical was estimated to be 40.5.
Bioconcentration Factor (BCF) of test chemical was estimated using Chemspider database(2019). The bioconcentration factor of test chemical was estimated to be 68.55 at both pH 5.5 and 7.4, respectively.
Another predicted data was estimated using SciFinder database (American Chemical Society (ACS), 2019) for predicting the bioconcentration factor (BCF) of test chemical.The bioconcentration factor (BCF) of test chemical was estimated to be 44.3 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 28.0 dimensionless . The predicted BCF result based on the 5 OECD principles.
On the basis of above results for test chemical, it can be concluded that the BCF value of test substance was evaluated to be ranges from 22.95 to68.55, respectivelywhich does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
Bioaccumulation endpoint can also be considered for waiver as per inaccordance with column 2 of Annex IX of the REACH regulation, testing for this endpoint is scientifically not necessary and does not need to be conducted since the test chemical has a low potential for bioaccumulation based on logKow ≤ 3.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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