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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 406-040-9 | CAS number: 125643-61-0
Adsorption / desorption
Administrative data
Link to relevant study record(s)
Description of key information
Koc: 12200 at 40 °C (corresponding logKoc = 4.08), strong adsorption (Wolley and Mullee, 2006).
Key value for chemical safety assessment
- Koc at 20 °C:
- 12 200
Additional information
Regarding soil adsorption properties for the substance Benzenepropanoic acid, 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxy-,C7 -9 branched alkyl esters (CAS 125643 -61 -0) two experimental results (key and supporting study, both with reliability 1) are available. The studies were conducted in compliance with the Principles of Good Laboratory Practice (GLP) and the validity criteria of the corresponding guideline were met. The HPLC screening method was used in both experiments, both in accordance with Method C19 of Commission Directive 2001/59/EC. In the key study, 0.5068 g of material was diluted to 100 mL with methanol (Wolley and Mullee, 2006). The column temperature of the HPLC system was 40 °C with a pH 6.9. As result a Koc of 1.22 x 10E4 is reported with a corresponding logKoc of 4.08.
In the second experiment, 0.1056 g of material was diluted to 100 mL with acetonitrile (Walker and Mullee, 2007). The column temperature of the HPLC system was 30 °C. As result a Koc greater than 4.27 x 10 E5 is reported with a corresponding logKoc greater than 5.63.
Further experimental results are available for Butyl 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxybenzenepropanoate (CAS 52449 -44 -2) and Benzenepropanoic acid, 3,4 -bis(1,1 -dimethylethyl)-4 -hydroxy-2 -ethylhexylester (CAS 144429 -84 -5). The adsorption coefficient (Koc) of both substances were determined using the HPLC screening method in accordance with OECD Guideline 121. In the case of Butyl 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxybenzenepropanoate (CAS 52449 -44 -2), the Koc was determined as 1.70 x 10E4 with a corresponding logKoc of 4.23. The column temperature of the HPLC system was 30 °C with a pH 5.54.
The Koc of Benzenepropanoic acid, 3,5 -bis(1,1 -dimethylethyl)-4 -hydroxy-2 -ethylhexylester (CAS 144429 -84 -5) was determined with the same column temperature, but the pH of the mobile phase was 6.7 (Woolley and Mullee, 2007). The Koc was determined to be greater than 4.27 x 10E5 with the corresponding logKoc greater than 5.63.
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.
