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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
- Endpoint:
- partition coefficient
- Type of information:
- other: Expert Statement
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Expert Statement in accordance with guidelines and ECHA guidance documents
Data source
Reference
- Reference Type:
- other: Expert Statement
- Title:
- Unnamed
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- other: EU Method A.8
- Version / remarks:
- 1992
- Deviations:
- not applicable
- Qualifier:
- according to guideline
- Guideline:
- other: REACH: Guidance on information requirements and chemical safety assessment, Chapter R.7a: Endpoint specific guidance
- Version / remarks:
- May 2008
- Deviations:
- not applicable
- Principles of method if other than guideline:
- The test substance Octadecanoic acid, reaction products with tetraethylenepentamine is to be assessed for chemical properties. An experimental determination of the partition coefficient n-octanol/water using OECD 107 or 117 was not applicable due to a low water solubility and lack of suitable analytical detection methods. Thus the partition coefficient n-octanol/water shall be assessed by estimation with KOWWIN (EPISuite v4.11).
- GLP compliance:
- no
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Fatty acids, C16-18 (even numbered), reaction products with tetraethylenepentamine
- Molecular formula:
- not applicable (UVCB substance)
- IUPAC Name:
- Fatty acids, C16-18 (even numbered), reaction products with tetraethylenepentamine
- Test material form:
- other: solid
- Details on test material:
- - Substance type: pure substance
- Storage condition of test material: At room temperature (20 °C ± 5 °C) in the dark
Constituent 1
Study design
- Analytical method:
- other: not applicable
Results and discussion
Partition coefficientopen allclose all
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.64
- Remarks on result:
- other: result for example constituent mono-Amide
- Key result
- Type:
- log Pow
- Partition coefficient:
- 11.46
- Remarks on result:
- other: result for example constituent di-Amide
- Key result
- Type:
- log Pow
- Partition coefficient:
- 18.02
- Remarks on result:
- other: result for example constituent tri-Amide
Applicant's summary and conclusion
- Conclusions:
- Expert Statement & calculation (scientifically accepted calculation method for the partition coefficient using the US-EPA software KOWWIN) are in accordance with guidelines and ECHA guidance documents. No GLP criteria are applicable for the usage of this tool and the estimation is easily repeatable. The result is adequate for the regulatory purpose.
The calculations of the of log Kow –value for the example constituents of Octadecanoic acid, reaction products with tetraethylenepentamine performed with program KOWWIN and by database review resulted in a
log Kow = 4.6 for example of the mono-Amide,
log Kow = 11.5 for example of the di-Amide and
log Kow = 18.0 for example of the tri-Amide. - Executive summary:
The partition coefficient of the substance Octadecanoic acid, reaction products with tetraethylenepentamine was determined by the computer program KOWWIN (EPI Suite v4.11).
In advance, different pre-experiments were done for the implementation of the analytical method to be able to determine the partition coefficient experimentally. The results showed that an experimental determination of the test item concentration with a specific method was not applicable.
As experimental determination of log Kow appears difficult due to a low water solubility and lack of suitable analytical detection methods the log Kow of Octadecanoic acid, reaction products with tetraethylenepentamine may be determined through computational methods in accordance with EU method A.8 and the ECHA Guidance for the implementation of REACH: Guidance on information requirements and chemical safety assessment, Chapter R.7a: Endpoint specific guidance (May 2008).
The calculations of the of log Kow –value for the example constituents of Octadecanoic acid, reaction products with tetraethylenepentamine performed with program KOWWIN and by database review resulted in a
log Kow = 4.6 for example of the mono-Amide,
log Kow = 11.5 for example of the di-Amide and
log Kow = 18.0 for example of the tri-Amide.
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.
