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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:

2019-11-11 to 2020-03-31

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

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

Deviations:

not specified

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

- Batch No.: 2019002
- Purity: 98.39 %
- Physical state: white solid
- Storage conditions: ambient temperature (10–30 °C)
- Expiry date: 2020-10-21

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
The sample was tested as receíved. No further preliminary treatment such as drying, or milling was performed.

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.4

Temp.:

25 °C

pH:

7

Details on results:

Please refer to box "Any other information on results incl. tables".

Preliminary test

An increasing amount of the test item was stirred with a defined volume of n-octanol at room temperature and visually checked for any undissolved particles. According to this preliminary test the solubility of the test item in n-octanol was between 0.48 g/L and 5.67 g/L (without correction for the purity). The estimated partition coefficient (log P_ow) was calculated to be > 4.1. Also, the program KOWWin (part of EPI Suite) was used for calculating the log P_ow of the test item.The calculated value was 4.2.

Therefore, according to the guidelines, the partition coefficient n-octanol/water of the test item at room temperature was determined by the HPLC method.

HPLC method

Calibration

Calibration was performed twice. For calibration the retention times of a series of calibration substances with known n-octanol/water partition coefficients were measured and a calibration graph with the following parameters was calculated:

First injection: y (log P_ow) = 2.9 x + 1.917

Second injection: y (log P_ow) = 1.913 x + 2.903

Log Pow determination of the test item

First injection: log P_ow = 2.4

Second injection: log P_ow = 2.4

Conclusions:

The partition coefficient (n-octanol/water) of the test item was determined via HPLC according to OECD TG 117. The log Pow was found to be 2.4 at pH 7.0 and 25 °C.

Executive summary:

In a GLP study conducted according to OECD 117, the n-octanol/water partition coefficient of the test item was determined using the HPLC method with VWD detection (294 nm). The log P_ow was found to be 2.4 at pH 7.0 and 25 °C.

 

Description of key information

The partition coefficient (log P_ow) was found to be 2.4 at pH 7.0 and 25 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.4

at the temperature of:

25 °C

Additional information

The partition coefficient (n-octanol/water) of the test item was determined via HPLC according to OECD TG 117 under GLP. The log P_ow was found to be 2.4 at pH 7.0 and 25 °C.