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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: - | 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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Calculation of partition coefficient is performed with EPI SUITE, KOWWIN v.1.68, accepted estimation method from ECHA Guidelines.
- Principles of method if other than guideline:
- KOWWIN v.1.68; part of: Estimation Programs Interface (EPI) Suite TM
- Key result
- Type:
- log Pow
- Partition coefficient:
- 13.17
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 13.17
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Since the test item is a reaction mass of hexadecanoic anhydride and hexadecanoic acid, hexadecanoic anhydride was used for the read-across.
Calculation of partition coefficient is performed with EPI SUITE, KOWWIN v.1.68, accepted estimation method from ECHA Guidelines. - Reason / purpose for cross-reference:
- read-across source
- Principles of method if other than guideline:
- KOWWIN v.1.68; part of: Estimation Programs Interface (EPI) Suite TM
- Key result
- Type:
- log Pow
- Partition coefficient:
- 13.17
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 13.17
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Calculation of partition coefficient is performed with EPI SUITE, KOWWIN v.1.68, accepted estimation method from ECHA Guidelines.
- Principles of method if other than guideline:
- KOWWIN v.1.68; part of: Estimation Programs Interface (EPI) Suite TM
- Key result
- Type:
- log Pow
- Partition coefficient:
- 7.17
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 7.17
- Endpoint:
- partition coefficient
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Since the test item is a reaction mass of hexadecanoic anhydride and hexadecanoic acid, hexadecanoic acid was used for the read-across.
Calculation of partition coefficient is performed with EPI SUITE, KOWWIN v.1.68, accepted estimation method from ECHA Guidelines. - Reason / purpose for cross-reference:
- read-across source
- Principles of method if other than guideline:
- KOWWIN v.1.68; part of: Estimation Programs Interface (EPI) Suite TM
- Key result
- Type:
- log Pow
- Partition coefficient:
- 7.17
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Calculation of partition coefficient with EPI SUITE, KOWWIN v.1.68: 7.17
Referenceopen allclose all
Description of key information
Since the test item is a reaction mass of hexadecanoic anhydride and hexadecanoic acid, hexadecanoic anhydride and hexadecanoic acid were used for the read-across.
Calculation for partition coefficient with software tool KOWWIN v.1.68 for hexadecanoic anhydride : 13.17
Calculation for partition coefficient with software tool KOWWIN v.1.68
for hexadecanoic acid: 7.17
The partition coefficient of the test item should be between 7.17 and 13.17
Key value for chemical safety assessment
Additional information
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.
