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EC number: 217-589-7 | CAS number: 1897-52-5
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
Description of key information
BCFBAF model prediction, Log BCF = 0.948 (BCF = 8.862 l/kg wet-wt); EPI Suite v4.00: BCFBAF v3.01, Office of Pollution Prevention Toxics (OPPTS) and Syracuse Research Corporation, 2011
Key value for chemical safety assessment
- BCF (aquatic species):
- 8.862 L/kg ww
Additional information
The bioconcentration factor of the test material was estimated using the BCFBAF component of EPI Suite. BCFBAF estimates fish bioconcentration factor and its logarithm using a traditional regression based on log Kow plus any applicable correction factors, and is analogous to the WSKOWWIN™ method.
For this purpose, the model was run using the SMILES code C(#N)c(c(F)cccl)clF. A summary of results and model input values are as follows:
Log BCF (regression-based estimate): 0.95 (BCF = 8.86 l/kg wet-wt)
Biotransformation half-life (days): 0.603 (normalised to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.98 (BAF = 9.55 l/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimate: 1.94
The equation used to make BCF estimate was log BCF = 0.6598 log Kow - 0.333 + Correction
(NB: no applicable Correction Factors)
Based on the above information, the estimated Log BCF = 0.948 (BCF = 8.862 l/kg wet-wt). Since this value is a prediction rather than an experimental result, and contains a substantial level of uncertainty, the result was assigned a reliability score of 4. However, being the only piece of information available for this endpoint the value Log BCF of 0.948 (BCF = 8.862 l/kg wet-wt) was taken forward for risk assessment.
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