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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 433-100-1 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 1999-04-30 to 1999-12-06
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- Version / remarks:
- December 1992
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
- Version / remarks:
- August 1996
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Version / remarks:
- adopted March 30, 1989
- Deviations:
- no
- GLP compliance:
- no
- Type of method:
- other: calculation using the Leo-Hansch method
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- -3.1
- Remarks on result:
- other: for Dilithiumsebacate
- Type:
- log Pow
- Partition coefficient:
- 6.3
- Remarks on result:
- other: for lithium salt of sebacic acid stearylamide
- Type:
- log Pow
- Partition coefficient:
- 18
- Remarks on result:
- other: for sebacic acid distearylamide
- Key result
- Type:
- log Pow
- Partition coefficient:
- 2.81
- Remarks on result:
- other: calculated average
- Conclusions:
- In conclusion, the partition coefficients of the 3 components of the test substance (EC: 433-100-1) were estimated to be log Pow range from -3.1 to 18 by calculation using the Leo-Hansch method.
- Executive summary:
The chemical’s solubilities in both water and octanol were so low that experimental determination of the partition coefficient was not possible. Therefore, the partition coefficient was determined by theoretical fragmentation of the molecule according to the Leo-Hansch method. The partition coefficient (log Pow) of the first component (Dilithiumsebacate) was calculated to be -3.1. The log Pow of the second component (Lithium salt of sebacic acid stearylamide) was calculated to be 6.3 and of the third component (Sebacic add distearylamide) was calculated to be 18.
In conclusion, the partition coefficients of the 3 components of the test substance (EC: 433-100-1) were estimated to be in the log Pow range from -3.1 to 18 by calculation using the Leo-Hansch method.
For the purpose of chemical safety assessment a log Pow value had to be selected. An average log Pow value for the complete substance was therefore calculated based on the log Pow values of the individual components and their respective percentage distribution. The log Pow value used for the chemical risk characterisation is 2.81.
Reference
Description of key information
In conclusion, the partition coefficients of the 3 components of the test substance (EC: 433-100-1) were estimated to be log Pow range from -3.1 to 18 by calculation using the Leo-Hansch method.
The average log Pow value used for the chemical risk characterisation is 2.81.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 2.81
- at the temperature of:
- 20 °C
Additional information
The chemical’s solubilities in both water and octanol were so low that experimental determination of the partition coefficient was not possible. Therefore, the partition coefficient was determined by theoretical fragmentation of the molecule according to the Leo-Hansch method. The partition coefficient (log Pow) of the first component (Dilithiumsebacate) was calculated to be -3.1. The log Pow of the second component (Lithium salt of sebacic acid stearylamide) was calculated to be 6.3 and of the third component (Sebacic acid distearylamide) was calculated to be 18.
In conclusion, the partition coefficients of the 3 components of the test substance (EC: 433 -100-1) were estimated to be in the log Pow range from -3.1 to 18 by calculation using the Leo-Hansch method.
For the purpose of chemical safety assessment a log Pow value had to be selected. An average log Pow value for the complete substance was therefore calculated based on the log Pow values of the individual components and their respective percentage distribution. The log Pow value used for the chemical risk characterisation is 2.81.
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.
