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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 214-426-1 | CAS number: 1126-79-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
The Log KOC of butyl phenyl ether is estimated to be 2.75.
Key value for chemical safety assessment
- Koc at 20 °C:
- 565
Additional information
The soil adsorption coefficients (KOC) for Butyl phenol ether (CAS: 1126-79-0) was estimated using quantitative structure-activity relationship (QSAR) algorithm implemented in KOCWIN v2.00 which is a module of the Estimation Program Interface Suite program (EPI Suite, v4.1, U.S. Environmental Protection Agency, 2012). The material estimated was butyl phenyl ether (i.e., target) with a molecular weight of 150 g/mol. KOCWIN was chosen due to its estimation accuracy and the transparency of the model and training set.
The estimated KOC value for the molecule was 565 L/kg using the MCI method and 880 L/kg with the KOW method. Preference is given to the MCI method because the Log KOC values for structural analogues estimated by MCI method are slightly closer to the experimental values than those by Log KOW method. The estimation by KOCWIN MCI method is deemed reliable because the estimated KOC values of structural analogues agree well with existing experimental data. It is with high confidence to conclude that the Log KOC of butyl phenyl ether is estimated to be 2.75.
[LogKoc: 2.75]
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.
