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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: - | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The calculated partition coefficient of 400160 is >10 (using the software KOWIN version 1.67a).
Key value for chemical safety assessment
Additional information
400160 is a surface active UVCB substance. According to Column 2 of Annex VII Section 7.8 of REACH regulation testing can be omitted, if it is technically not feasible. The current testing protocols are not applicable for surface active substances.
Therefore testing is technically not possible and a computational method was used.The software program KOWWIN (version 1.67a estimate) recommended by ECHA was used entering the SMILES code of the respective compounds.
The log Kow was calculated for the two most common constituents of 400160 - the monoester and the dimer acid. Both constituents together represent a fraction of 84 % w/w of 400160.
The calculated log Kow of the monoester constituent of 400160 is 17.41 and 13.76 for the dimer acid. All functional groups or fragments of these compounds are represented in the training set. The concrete log Kow value is reported to show the high lipophilic nature of the constituents. The applicability domain covers log Kow up to 10, therefore the values should be reported with restrictions. The calculated values should be given as log Kow > 10.
Log Kow of the dimeric acid component is lower than log Kow of monoester constituent, but still >10. In contrast log Kow of the diester component might be somewhat higher than 17.41 what is of no significance.
Therefore it can be concluded that the log Kow of 400160 is >10.
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.
