Registration Dossier
Registration Dossier
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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.
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