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Physical & Chemical properties

Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Study period:
From 9 January 2003 to 14 February 2003
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:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
>= 5.57 - <= 5.73
Temp.:
30 °C
pH:
8.1
Conclusions:
The partition coefficient of the test material has been determined to be in the range 3.73x10^5 to 5.36x10^5, log10Pow 5.57 to 5.73. As HPLC method is not applicable for surfactants this study was not flagged as key study.
Executive summary:

Partition coefficient: in the range 3.73 x 10^5 to 5.36 x 10^5, log10 Pow 5.57 to 5.73 using HPLC method, Method 117 of the OECD Guidelines for Testing of Chemicals, 30 March 1989.

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
October-November 2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
other: Solubility in octanol/water
Deviations:
no
Principles of method if other than guideline:
Solubility of the substance was determined in octanol and water. The ratio of solubilties was used as partion coefficent.
GLP compliance:
yes (incl. QA statement)
Type of method:
other: Ratio of solubilities in octanol/water
Partition coefficient type:
octanol-water
Analytical method:
other: Visual
Type:
log Pow
Partition coefficient:
>= 4.85 - <= 5.21
Temp.:
20 °C
pH:
ca. 5.6
Remarks on result:
other: pH from water solubility study
Details on results:
A visual determination was performed. A range down to 2% limit may be achieved visually with highly soluble solids, but in this case where the test item is a liquid and is very soluble in the solvent, it is more difficult to visually obtain solubility limits <5%.
So, the final/definitive result is 65.2 to 70.2 %w/w. For the purpose of calculating Pow or giving a definitive value the mean of the range was considered to be to be appropriate. Under the consideration of the solubility in water in the range of 0.004 and 0.0092 g/L the log Pow was calculated to be in the range from 4.85 and 5.21. For the risk assessment a value of 5.0 was used.
Conclusions:
The log Pow was calculated from the ratio of solubilities in water and octanol to be in the range from 4.85 and 5.21. For the risk assessment a value of 5.0 was used.
Executive summary:

For the purpose of calculating Pow or giving a definitive value the mean of the range was considered to be to be appropriate. Under the consideration of the solubility in water in the range of 0.004 and 0.0092 g/L the log Pow was calculated to be in the range from 4.85 and 5.21. For the risk assessment a value of 5.0 was used.

Description of key information

The value was determined by determining the ratio of solubilities in water and octanol.

Key value for chemical safety assessment

Log Kow (Log Pow):
5
at the temperature of:
20 °C

Additional information

The value was determined by determining the ration of solubilities in water and octanol. Other methods were not applicable as the substance is surface active.