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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:
January 1998 - April 1998
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reason / purpose for cross-reference:
reference to other study
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
Type:
log Pow
Partition coefficient:
< -2.4
Temp.:
20 °C
Remarks on result:
other: no data on the pH-value is given in the test report
Type:
Pow
Partition coefficient:
< 0.004
Temp.:
20 °C
Remarks on result:
other: no data on the pH-value is given in the test report
Details on results:
Since the main study hasn't been performed, no pH value is not given in the test report.
The pH was determined in the study No: 1998_04_20_01 resp. 98007/01-PCSB (Walter, D. 1998). The pH-Value of the saturated solution at 20 °C was 9.68. The density at 20 °C was 1.2678 g/mL.

The method used applies only to "pure substances". Due to the fact that the test items consists of 2 components and an impurity, the solubility, respectively the partition coefficient for each of the components may be different from the calculated value of the test item.

Conclusions:
The partition coeficient Pow was determined to be < 0.01 at 20°C (log Pow < -2).
Executive summary:

To get information about the approximate octanol/water-partition coefficient of the test substance a preliminary test was performed. The approximate partition coefficient was estimated from the ratio of the solubilities of the test substance in pure solvents. The solubility of the test substance in water was determined in the study 98007/01-PCSB to be 125.76 g/L.

The approximate partition coefficient was estimated from the ratio of the solubilities of the test substance in pure solvents:

Pow< 0.5/125.76 = 0.00398, log Pow < -2.4

Following the EEC directive A.8. the flask method is applitcable when the log Pow value falls within the range -2 to 4. The log Pow was determined in the preliminarytest to be < -2. Therefore a main test was not performed.

Description of key information

The partition coefficient Pow was determined to be < 0.004 at 20°C (log Pow < -2.4).

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.4
at the temperature of:
20 °C

Additional information

The partition coefficient was calculated based on the solubility of the test item in n-octanol and water. Due to the poor solubility of the test item in n-octanol, only a limit value was used for the calculation.

The method used usually applies to not to multi-consistent substances.