Registration Dossier
Registration Dossier
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EC number: 247-988-1 | CAS number: 26762-93-6
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
BCFBAF and CAESAR models, used as a weight of evidence approach. The performances of the CAESAR model were better than those from the BCFBAF model (EPI Suite) for the same compounds. However, to consider the worst case, results obtained with BCFBAF model was used as the key value.
BCFBAF model, WoE, validity 2: BCF = 100 L/Kg.
Key value for chemical safety assessment
- BCF (aquatic species):
- 100 L/kg ww
Additional information
Two bioconcentration factor (BCF) predictions are available for the test substance. These predictions were performed with valid QSARs models and were used as a weight of evidence approach.
The first BCF prediction was evaluated with BCFBAF model v3.01 from EPI Suite v4.1, which fulfilled all OECD principles. Test substance is within the applicability domain of the BCFBAF model based on the molecular weight and fragments present in the BCFBAF database. The BCF of the test substance was 100 L/Kg whole body weight, corresponding to a log BCF = 2.00.
The second BCF prediction was evaluated with CAESAR model, which fulfilled all OECD principles. The test substance is within the applicability domain of the CAESAR model. The error of the prediction was about 0.5 Log unit, which is of the same range of the experimental variability. The performances of this model were better than those from the EPI Suite model for the same compounds.
The BCF of the test substance was 30 L/Kg whole body weight, corresponding to a log BCF = 1.48.
According to informations provided by these QSARs, the performances of the CAESAR model were better than those from the BCFBAF model (EPI Suite) for the same compounds. However, to consider the worst case, results obtained with BCFBAF model was used as the key value for chemical safety assessment of the test substance: BCF = 100 L/Kg, well below than the bioaccumulation (B) criterion.
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