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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From June 16, 2016 to July 06, 2016
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
not specified
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Batch no.: 145
Appearance: solid
Analytical method:
liquid chromatography
high-performance liquid chromatography
mass spectrometry
Key result
Type:
log Pow
Partition coefficient:
-4.231
Temp.:
24 °C
pH:
ca. 7.45
Details on results:
Total average over 6 independent determinations:
Pow: 5.9E-05 + / - 1.0E-05
Conclusions:
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):
-4.231
at the temperature of:
24 °C

Additional information