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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP-compliant, guideline study, available as an unpublished report, reliable without restrictions.
Justification for type of information:
A discussion and report on the read across strategy is given as an attachment in IUCLID Section 13.
Reason / purpose:
read-across: supporting information
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
> 5.37
Temp.:
40 °C
pH:
ca. 6.52
Details on results:
The partition coefficient of the test item has been determined to be in the range 2.34x10^5 to greater than 3.16x10^6.

In the preliminary results, Log10 Pow was greater than 4.13, and Pow was approximately greater than 1.34x10^4.

Conclusions:
The partition coefficient of the test item has been determined to be in the range 2.34x10^5 to greater than 3.16x10^6, log10 Pow in the range 5.37 to greater than 6.5.
Executive summary:

The determination of the partition coefficient was carried out using the HPLC Method designed to be compatible with EU Method A.8 (Partition Coefficient), and OECD Guideline 117. The result from the preliminary test indicated that the HPLC method was the most suitable for determination of partition coefficient for this test item. The chromatography of the test item showed several peaks with well-defined and reproducible retention times. Therefore, the HPLC method was considered to be suitable for the purpose of the study. Based on the chromatographic data, the test item was considered to be stable during the test procedure. Log10 Pow of the test item has been determined to be in the range 5.37 (peak 1, area 86.1%) to greater than 6.5 (peaks 2 -5, area 13.9%). The area % has been determined by area normalization of UV data.

This is a GLP-compliant, guideline study, therefore the results are reliable without restrictions.

Description of key information

There is no data available for Resin acids and rosin acids, reaction products with formaldehyde, sodium salts. However, data available from a structural analogue Resin acids and rosin acids, reaction products with formaldehyde, potassium salts is used as read across.

The log partition coefficients for substances in the category Rosin, hydrogenated rosin and their salts range from 0.74 to >6.5.


The log partition coefficient of Resin acids and rosin acids, reaction products with formaldehyde, potassium salts is in the range 5.37 to > 6.5 at pH 6.52.



Key value for chemical safety assessment

Additional information

There is no data available for Resin acids and rosin acids, reaction products with formaldehyde, sodium salts. However, data available from a structural analogue Resin acids and rosin acids, reaction products with formaldehyde, potassium salts is used as read across.

A GLP-compliant study, conducted according to OECD Guideline 117 (HPLC Method), was provided for Resin acids and Rosin acids, reaction products with formaldehyde, potassium salt (Harlan Laboratories Ltd., 2012a)