Registration Dossier
Registration Dossier
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EC number: 234-042-8 | CAS number: 10508-09-5
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 BCFBAF model were better than those from the CAESAR model for the test substance.
BCFBAF model, WoE, validity 2: BCF = 614 L/Kg.
Key value for chemical safety assessment
- BCF (aquatic species):
- 614 L/kg ww
Additional information
Two bioconcentration factor (BCF) predictions are available for di-tert-amyl peroxide. 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 domain of the BCFBAF model based on the molecular weight and fragments present in the BCFBAF database. The BCF of the test substance (estimated from its experimental log Kow) was 614 L/Kg whole body weight, corresponding to a log BCF = 2.79.
The second BCF prediction was evaluated with CAESAR model, which fulfilled all OECD principles. The error of the prediction was about 0.5 Log unit, which is of the same range of the experimental variability. However, there is the presence of chemical features in the compound (peroxide) that might be associated with a lower reliability of the predicted value. The BCF of the test substance was 64 L/Kg whole body weight, corresponding to a log BCF = 1.80.
According to information provided by these QSARs, the performances of the BCFBAF model were better than those from the CAESAR model for the test substance. The BCF value for chemical safety assessment of the test substance was evaluated to be 614 L/Kg, well below than the bioaccumulation (B) criterion.
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