Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 275-702-5 | CAS number: 71617-10-2
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.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
