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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 254-754-2 | CAS number: 40027-38-1
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018-05-16
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
- Qualifier:
- according to guideline
- Guideline:
- other:
- Version / remarks:
- similar to the preliminary test in OECD 105 water solubility
- Principles of method if other than guideline:
- The substance has been mixed with 1-octanol saturated with water (using slow-stirring conditions for at least 24 h, Milli-Q water was used) at different ratios in order to determine the octanol solubility. It is assumed that there are no changes in volume when mixing 1-octanol with the test substance.
- GLP compliance:
- no
- Other quality assurance:
- ISO/IEC 17025 (General requirements for the competence of testing and calibration laboratories)
- Type of method:
- estimation method (solubility ratio)
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 3.95
- Temp.:
- 20 °C
- pH:
- ca. 7
- Conclusions:
- The partition coefficient of the test substance was determined to 3.95
- Executive summary:
The octanol solubility of ´N-(Oleyl alkyl)- 1,3-propanediamine mono oleates ´ is determined to be 720 g/L. The aqueous solubility is determined to 0.080 gram/litre mixture (from ANL 18034). Log Pow is calculated as 3.95
Reference
Description of key information
The partition coefficient of the test substance was determined to 3.95
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.95
- at the temperature of:
- 20 °C
Additional information
The substance is a salt of (Z)-N-9-octadecenylpropane-1,3-diamine (Oleyl-diamine, CAS 7173-62-8) and Oleic acid (CAS 112-80-1),which dissociates into its components under aqueous conditions.
It should be noted that also both components of the salt individually have surface active properties, and form micelles rather than clear aqueous solutions. Also, both the structures appear under physiological conditions in a charged form in water solution: oleyl-diamine as cationic structure, and oleic acid as an anionic structure.
For such surface-active structures, the standard test methods for water solubility and octanol/water partitioning are generally not suitable. For the free water solubility in general the CMC (critical micelle concentration as approximation for the maximum concentration where the substance is still in free solution) is provided rather than the amount that can be added while still showing a clear solution. For Pow of such substances, the separate solubility in water and in octanol can be used, where the use of the CMC for water solubility will result to the most conservative result (i.e. the highest Pow value):
CMC = 0.080 g/L (pH 6.5, 20°C, at 1 g/L); octanol solubility = 720 g/L
logPow = log(0.080/720) = 3.95
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.
