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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:
2002-2003
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Study was carried out according to generally valid and internationally accepted testing guidelines and under GLP. The substance is considered to be adequately characterised. Therefore full validation applies.
Reason / purpose for cross-reference:
reference to other study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Version / remarks:
1989
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Version / remarks:
1992
Deviations:
no
Principles of method if other than guideline:
An estimate of the maximum solubility of the test item in n-octanol was performed by mixing the test item with different amounts of n-octanol for approximately 1 hour at room temperature away from light. After shaking a visual assessment of solubility was made. The solubility in water of the test item was previously determined (7775-09-9, Water solubility, Groult, 2004, RS-28186 PSE).
GLP compliance:
yes
Type of method:
estimation method (solubility ratio)
Remarks:
preliminary test, estimation method
Partition coefficient type:
octanol-water
Type:
log Pow
Partition coefficient:
< -2.9
Temp.:
20 °C
Remarks on result:
other: pH not provided
Type:
Pow
Partition coefficient:
< 0.001
Temp.:
20 °C
Remarks on result:
other: pH not provided
The solutions of the test item in n-octanol were all saturated. The preliminary test indicated that the test item was weakly soluble in n-octanol
(< 1 g/L).
Estimation based on the individual solubilities of the test item in n-octanol and water:
Pow = Coctanol / Cwater: < (1/717) this is < 0.001and log Pow < -2.9. The HPLC method or shake-flask method were not applicable (log Pow < -2.9) at 20 degrees Celcius.Consequently, the test was considered to be complete. No data on pH and no buffer solution was used.
Conclusions:
Pow < 0.001 and log Pow < -2.9
Executive summary:

The partition coefficient of test item was determined acccording to OECD guideline 117 / EU method A.8 based on the estimation method (solubility ratio) and under GLP.

Water solubility was determined in section 4.8 as 717 g/L at 20°C and n-octanol solubility was determined as < 1g/L by visual assessment of mixing solutions of test item in n-octanol at different concentrations after shaking for approximately 1 hour at room temperature away from light. Finally, the partition coefficient of the test item was determined as log Pow < -2,9.

This data is considered as a key data.

Description of key information

Pow< 0.001 and

log Pow< -2.9

Weakly soluble in n-octanol

Key value for chemical safety assessment

Log Kow (Log Pow):
-2.9
at the temperature of:
20 °C

Additional information

A fully reliable experimental study, conducted according to a recognized OECD/EC method and under GLP, is available. It is considered as a key study.

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