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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Description of key information

BCF fish estimated by QSAR: 56.2 L/kg wet weight.

Key value for chemical safety assessment

BCF (aquatic species):
56.2 L/kg ww

Additional information

The bioaccumulation of the reference substance was assessed by using a validated QSAR model which is well established and approved by the US EPA for more than a decade. As no definite measured logPOW is available for the substance (measurements resulted in >6.6, which was the upper limit of validity of the method) the BCF QSAR model was used by applying the lower limit of possible logPOW value (i.e. 6.6) and in addition the logPOW which was estimated by the model based on the structure of the substance (i.e. 8.52). The BCF values resulting from these input parameters were 56.2 and 10 L/kg w.w. respectively and the highest value (based on a log POW of 6.6) has been chosen as result of this QSAR considered as a worst case estimate (i.e. 56.2 L/kg w.w.) which is taken forward for hazard and risk assessment. As the BCF is less than 500 the substance is not considered to significantly bioaccumulate in aquatic species.

Supporting evidence for the low bioaccumulation potential can be seen in the size of molecule (Dmax > 19 Angstroms). Molecules of this size are generally considered to have low bioaccumulation potential due to their reduced uptake and low membrane permeability.