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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
07 May 2018 to 09 August 2018
Reliability:
1 (reliable without restriction)
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
other: SOP 00187
Version / remarks:
Version 3 / Internal method for determination of the partition coefficients. This SOP corresponds to the Council Regulations EC No 440/2008, Guideline Part A - Methods for the Determination of the physical-chemical properties, A.8, "Partition Coefficient" (adopted, May 2008) and to the OECD guideline for testing of chemicals No: 117 "Partition Coefficient (n-octanol/water)" (adopted 13 April 2004).
Qualifier:
according to guideline
Guideline:
other: SOP 00178
Version / remarks:
Version 3 / Internal method for determination of the pH value
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Key result
Type:
log Pow
Partition coefficient:
< 0
Remarks on result:
other: Temp.: Room temperature
Remarks:
pH: not applicable
Conclusions:
The partition coefficient of the test item Clevios K Primer W8 (1,10-Decanediamine, 4-methylbenzenesulfonate (1:2)), is determined to be: log Pow < 0
Executive summary:

Calculation of the partition coefficient (Method: SOP 00187 Version 3):

The result of the pretests is a higher solbulity of the test item in demineralized water than in 1-octanol. Therefore, based on the assumption that in the formula of the partition coefficient the concentration in each phase can be substituted by approximation with the solubility in each solvent, the partition coefficient can be estimated.

With       Pow≈Sol1-octanol / Solwater

and       Sol1-octanol < Solwater

it is:       Pow < 1 and log(Pow) < 0

Result: The partition coefficient of the test item Clevios K Primer W8 (1,10-Decanediamine, 4-methylbenzenesulfonate (1:2), is determined to be: log Pow < 0

Description of key information

The partition coefficient of the test item Clevios K Primer W8 (1,10-Decanediamine, 4-methylbenzenesulfonate (1:2)), is determined to be: log Pow < 0.

Key value for chemical safety assessment

Additional information

A study (Partition coefficient Currenta 2018) following OECD TG 117 was performed to determine the partition coefficient of 1,10 -Decanediamine, 4methylbenzenesulfonate (1:2). The partition coefficient of the test item is determined to be: log Pow < 0.