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Physical & Chemical properties

Partition coefficient

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partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From June 16, 2016 to July 06, 2016
1 (reliable without restriction)
according to guideline
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
not specified
Type of method:
flask method
Partition coefficient type:
Specific details on test material used for the study:
Batch 145
Appearance white granular powder
Analytical method:
liquid chromatography
high-performance liquid chromatography
mass spectrometry
Key result
log Pow
Partition coefficient:
24 °C
ca. 7.45
Details on results:
Total average over 6 indipendent determinations Pow: 5.9E-05/-1.0E-05
Under the study conditions, the partition coefficient (log Pow) of the substance was determined to be -4.231 at 24.0°C and pH 7.45.
Executive summary:

A study was conducted to determine the partition coefficient of the substance according to OECD Guideline 107. Preliminary tests showed that the shake flask method was the suitable procedure for the determination of the test substance's partition coefficient. No reference substance was used in this test and the test system was calibrated using the test substance. For the preparation of the test mixtures, a stock solution was created by dissolving 253.2 mg of the test substance in 100 mL buffer solution pH 7 (pre-saturated with 1 -octanol). The test mixtures were prepared by adding 1 -octanol (pre-saturated with buffer solution pH 7) to the stock solution. These test mixtures were stirred thoroughly for 2 hours at 24.0°C. Phase separation was then achieved by centrifugation (15 min, 3500 RPM). The concentrations of the different test solutions were determined using LC-MS. Under the study conditions, the partition coefficient (log Pow) of the substance was determined to be -4.231 at 24.0°C and pH 7.45 (Schwarzkopf, 2016).

Description of key information

The partition coefficient was determined according to OECD Guideline 107 (Schwarzkopf, 2016)

Key value for chemical safety assessment

Log Kow (Log Pow):
at the temperature of:
24 °C

Additional information