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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 28 November 2018 to 16 January 2019
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions
Remarks:
Despite several preliminary tests to modify the eluent composition in order to measure the log Kow of the test item (expected to be very high), it has not been possible to adapt the method to obtain reliable results. Therefore the standard method was applied and the log Kow was estimated as greater than the most liphilic reference standard tested.
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
Adopted 13 April 2004
Qualifier:
according to guideline
Guideline:
other: A024. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) method.
Version / remarks:
Official Journal of the European Union L 54 of 01 March 2016.
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:
> 6.5
Temp.:
25 °C
Remarks on result:
other: The log Kow of the test item is higher than 6.5 (log Kow of the reference substance DDT)
Details on results:
A very high organic content of the eluent allowed to detect several peaks from the test item, however this modified protocol was not applicable, since the results were not repeatable and involved a considerable extrapolation as well. So despite several preliminary tests to modify the eluent composition tested (ACN/ultrapure water 90/10; 100/0 and 98/2) in order to measure the log Kow of the test item, it was not possible to adapt the method to obtain reliable results. The standard eluent composition was applied in the main test, without the detection of the suspected main components of the test item, for which the log Kow are significantly higher than 6.5.
Conclusions:
The log Kow of the test item was determined as > 6.5 at 25 °C, using the HPLC method.
Executive summary:

The Partition Coefficient of the test item (LAB 4448) was determined according to the OECD 117 guideline and the EU A.024 method , using the High Performance Liquid Chromatography (HPLC) method, and in compliance with GLP.

The main test was conducted with a test material concentration of 1 mg/ml in the mobile phase, consisting of ACN/ultrapure water 75/25. It was ultrasonicated, then filtered by 0.2 µm filter.

Calibration was performed using eight reference substances, at the concentration of 1 mg/ml in acetonitrine and then diluted 100 fold in the eluent mobile phase.

A very high organic content of the eluent allowed to detect several peaks from the test item, however this modified protocol was not applicable, since the results were not repeatable and involved a considerable extrapolation as well.  So despite  several preliminary tests to modify the eluent composition in order to measure the log Kow of the test item, it has not been possible to adapt the method to obtain reliable results. The standard eluent composition was applied in the main test, without the detection of the suspected main components of the test item, for which the log Kow are significantly higher than 6.5.

The log Kow study is classified as acceptable and satisfies the guideline requirements of the EU method A.24 and OECD 117.

 

Description of key information

The log Kow of the test item was determined as > 6.5 at 25 °C, using the HPLC method.

Key value for chemical safety assessment

Log Kow (Log Pow):
6.5
at the temperature of:
25 °C

Additional information

The Partition Coefficient of the test item (LAB 4448) was determined according to the OECD 117 guideline and the EU A.024 method , using the High Performance Liquid Chromatography (HPLC) method, and in compliance with GLP.

The main test was conducted with a test material concentration of 1 mg/ml in the mobile phase, consisting of ACN/ultrapure water 75/25. It was ultrasonicated, then filtered by 0.2 µm filter.

Calibration was performed using eight reference substances, at the concentration of 1 mg/ml in acetonitrine and then diluted 100 fold in the eluent mobile phase.

A very high organic content of the eluent allowed to detect several peaks from the test item, however this modified protocol was not applicable, since the results were not repeatable and involved a considerable extrapolation as well.  So despite  several preliminary tests to modify the eluent composition in order to measure the log Kow of the test item, it has not been possible to adapt the method to obtain reliable results. The standard eluent composition was applied in the main test, without the detection of the suspected main components of the test item, for which the log Kow are significantly higher than 6.5.