Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Environmental fate & pathways

Endpoint summary

Administrative data

Description of key information

Additional information

The bioaccumulation factor (BCF) for fish was calculated using QSAR based software approaches. The QSAR model used by Episuite (Epiweb 4.0) is based on correlations between BCF and chemical hydrophobicity (as modelled by log KOW).The Caesar BCF model is based on a dataset of 473 compounds with experimentally determined BCF values. The final model is a Neural Network based on 8 molecular descriptors.

For the test substance, a log KOW of 4.78 was determined experimentally. Using this value, Episuite [BCFBAF (v3.00)] calculated a BCF value of 662 L/kg body weight (BCFBAF 2010). In contrast, using the Caesar QSAR model software a BCF value 28 L/kg body weight was obtained (Caesar 2010).

In conclusion, the two QSAR approaches provided striking differences in the calculated BCF values associated with low to moderate bioaccumulation properties.