Registration Dossier
Registration Dossier
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: 224-809-5 | CAS number: 4500-29-2
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
The substance has surface-active properties and OECD 107 method suggests that “when the shake flask method is not applicable, e.g. for surface active materials, a calculated value or an estimate based on the individual n-octanol and water solubilities should be provided”.
With the cmc value and the density a valid log Kow can be calculated to be 1.57.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 1.57
- at the temperature of:
- 20 °C
Additional information
The registration substance has a measured log Kow of 0.87 by using OECD107 Shake-flask method.
OECD 107 method suggests that “when the shake flask method is not applicable, e.g. for surface active materials, a calculated value or an estimate based on the individual n-octanol and water solubilities should be provided”.
For surface active substances, like the registration substance, which can form micelles and show a complex solubility behaviour, due to aggregation, the monomer concentration, and hence the thermodynamic activity, reaches a limiting value at the critical micelle concentration (cmc). It remains approximately constant when the total concentration is further increased. For ecotoxicological models requiring a solubility value, the critical micelle concentration is therefore the appropriate parameter. This is also suggested in ECHA Guidance R.7a.
The measured cmc value of the registration substance is 28.2g/L at 25°C.
As the substance is fully miscible in every ratio with n-octanol the density can be used as a quantitative descriptor of the solubility in n-octanol. This certainly constitutes a worst case assumption, since the maximum solubility is taken as 100 % test substance.
The measured density of the substance is 1.0382 g/cm³ at 20°C.
With the cmc value and the density a valid log Kow can be calculated to be 1.57.
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.
