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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Data waiving:
study technically not feasible
Justification for data waiving:
other:
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
August 2012 - August 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< -3.85
Temp.:
20 °C
Remarks on result:
other: pH value not measured
Details on results:
Experimentally determined preliminary partition coefficient:
The water solubility was determined to be 703.6 g/L at 20.0 °C.
The solubility in n-octanol was determined to be < 0.1 g/L at 20.0 °C.
Estimated log Pow of the test substance (without pH correction): < -3.85.
Further experimental tests:
According to the guideline the shake flask method is applicable when the log Pow value falls within the range of -2 to 4 and the HPLC method for the range 0 to 6.
The experimentally determined partition coefficient is outside the range for which methods are published in the guidelines and therefore no further tests were performed.
Conclusions:
The log Pow of the test substance (without pH correction) was determined to be below -3.85.

Executive summary:

A study was conducted in accordance with OECD TG 107 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the shake flask method. The partition coefficient was estimated using the solubilities in the pure solvents. The investigation was performed with suspensions of 10.2 mg and 21.4 mg test item filled up to 100 mL with n-octanol each. After fitting with glass stoppers the flasks were placed in a water bath where the suspensions were shaken in intervals. Twenty five hours after starting the investigation the suspensions were checked visually for undissolved particles. The solubility of the test item in octanol was determined to be below 100 mg/L. The water solubility was determined to be 703.6 g/L. The log Pow of the test item (without pH correction) was calculated to be < -3.85. According to the guideline the shake flask method is applicable when the log Pow value falls within the range of -2 to 4 and the HPLC method for the range 0 to 6. The experimentally determined partition coefficient is outside the range for which methods are published in the guidelines and therefore it was technically not possible to determine the logPow.

Description of key information

The log Pow of the test substance (without pH correction) was determined to be below -3.85.

Key value for chemical safety assessment

Additional information

A study was conducted in accordance with OECD TG 107 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance using the shake flask method (reference 4.7 -1). The partition coefficient was estimated using the solubilities in the pure solvents. The investigation was performed with suspensions of 10.2 mg and 21.4 mg test item filled up to 100 mL with n-octanol each. After fitting with glass stoppers the flasks were placed in a water bath where the suspensions were shaken in intervals. Twenty five hours after starting the investigation the suspensions were checked visually for undissolved particles. The solubility of the test item in octanol was determined to be below 100 mg/L. The water solubility was determined to be 703.6 g/L. The log Pow of the test item (without pH correction) was calculated to be < -3.85. According to the guideline the shake flask method is applicable when the log Pow value falls within the range of -2 to 4 and the HPLC method for the range 0 to 6. The experimentally determined partition coefficient is outside the range for which methods are published in the guidelines and therefore it was technically not possible to determine the logPow.