Registration Dossier

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:
other: EU Method A.8
Version / remarks:
1992
Deviations:
not applicable
Qualifier:
according to
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
Name:
Unnamed
Type:
Constituent
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

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.