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EC number: 245-910-0 | CAS number: 23847-08-7
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
Calculation with BCFBAFWIN v3.00 (EPIWIN software by US-EPA), Bioconcentration Factor (BCF): 14.2 (regression-based estimate)
Key value for chemical safety assessment
- BCF (aquatic species):
- 14.2 L/kg ww
Additional information
The prediction for the bioconcentration factor (BCF) of the test substance was determined by the computer program BCFBAFWIN v3.00 (EPIWIN software) by US-EPA (Chemservice S.A., 2011). Furthermore the whole body primary biotransformation rate estimation for fish was calculated with the notation that the bio half-life normalized to 10 g fish at 15 °C. It is possible to predict the apparent metabolism half-life in fish for three different trophic levels (lower, mid and upper). Using the regression-based estimate (traditional method) a Bioconcentration Factor (BCF) of 14.2 L/kg wet-wt was calculated. Using the Arnot-Gobas method, which is based on mechanistic first principles, an aquatic BCF of 19.9 L/kg wet-wt is the result. The experimentally determined logPow of 2.25 was taken into account for these predictions (White and Mullee, 2001, shake flask method, at 30 °C). The whole body primary biotransformation rate estimate for fish results in a half-life of 0.24 days, whereby the bio half-life is normalized to 10 g fish at 15 °C. The rate constant (kM) for 10 g fish is 2.91/day. This is taken into account to predict the apparent metabolism half-life in fish of the test substance. With the Arnot-Gobas method it is possible to differentiate between three trophic levels. For the lower trophic level the BCF results in 10.54 L/kg wet-wt, for a mid trophic level the result is 11.65 L/kg wet-wt and for the higher trophic level 15.62 L/kg wet-wt. No correction factors were applied.
No GLP criteria are applicable for the usage of this tool, but due to the fact that it is a scientifically accepted calculation method the estimations performed are reliable with restrictions and can be used for the chemical safety assessment.
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