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Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From November 23, 2021 to March 22, 2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

conducted under GLP conditions

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Version / remarks:

2004

Deviations:

yes

Remarks:

Removal of one reference substance due to expiration but no impact as no modification on the retention time of the remaining substances and the minimum of six calibration substances was still met.

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Deviations:

yes

Remarks:

Removal of one reference substance due to expiration but no impact as no modification on the retention time of the remaining substances and the minimum of six calibration substances was still met.

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Deviations:

yes

Remarks:

Removal of one reference substance due to expiration but no impact as no modification on the retention time of the remaining substances and the minimum of six calibration substances was still met.

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

3.9

Temp.:

35 °C

pH:

7.04

Details on results:

In the conditions of the test, the chromatograms of the test substance show that the two peaks corresponding to the E- and Z- isomers, at average retention times of 6.81 minutes, are not fully resolved, with the corresponding partition coefficient (log value) of 3.9.

The determination was performed at 35°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Conclusions:

In the conditions of the test, the chromatograms of the test substance show that the two peaks corresponding to the E- and Z- isomers, at average retention times of 6.81 minutes, are not fully resolved, with the corresponding partition coefficient (log value) of 3.9

Therefore:
Partition coefficients n-octanol/water of the constituents of the test substance:
log Pow= 3.9.

Executive summary:

The Partition Coefficient n-octanol/water of the test substance at pH 7.0 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.
The result is:
Partition coefficients n-octanol/water of the constituents of the test substance:
log Pow= 3.9

Description of key information

The Partition Coefficient n-octanol/water of the test substance at pH 7.0 was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117.
The result is:
Partition coefficients n-octanol/water of the constituents of the test substance:
log Pow= 3.9

Key value for chemical safety assessment

Log Kow (Log Pow):

3.9

at the temperature of:

35 °C

Additional information

The determination was performed at 35°C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.