Registration Dossier
Registration Dossier
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EC number: 249-894-6 | CAS number: 29857-13-4
Endpoint summary
Administrative data
Description of key information
70.8 L/kg
Additional information
In accordance with EC 1907/2006, Annex IX, point 9.3.2, column 2, bioaccumulation in aquatic species (water and sediment) is not required due to the fact that the substance has a log Kow of < 3 (0.485).
An experimental study with a structurally similar source substance (CAS 577-11-7, Arnot & Gobas 2006, 42-day exposure, steady state) resulted in a BCF of 9.33 L/kg in carp (4.1% lipid content). A further 72 -hour study with the same source substance CAS 577-11-7 (Goodrich et al. 1991) with rainbow trout resulted in a BCF of 3.78 L/kg in carcas. In addition to the experimental results, a QSAR using the BCFBAF (v3.01) module implemented in EPISuite 4.11 resulted in a BCF of 56.2 L/kg for the source substance. Hence, there was a good agreement between the experimental values and the QSAR with the indication that the result from the QSAR model results in more conservative values. For the registered substance, the same QSAR model as for the source substance resulted in a BCF of 70.8 L/kg. Hence, it can be assumed that the EPISuite result is conservative for the registered substance as well.
For the registered substance, a QSAR calculation with the model Catalogic resulted in a maximum BCF of 33.1 L/kg for the parent substance and its metabolites. As for EPISuite, a direct comparison of the experimental result and the Catalogic QSAR prediction for the BCF of docusate sodium, the source substance, resulted in the finding that the QSAR prediction from Catalogic for docusate sodium and its metabolites (13.8 L/kg) is slightly more conservative than the experimental finding (9.33 L/kg). Hence, it can be assumed that this is the case also for the registered substance.
For the risk assessment, a more conservative BCF obtained from the EPISuite QSAR with 70.8 L/kg will be used since this result is the most conservative obained from all data available. The use of the scientifically more relevant read across information resulted in a lower BCF. The results from the more conservative QSAR result will be used for the PBT assessment.
In conclusion, bioaccumulation of the substance is of no concern.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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