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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
21 MAR 2007 - 19 JUL 2007
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Version / remarks:
Guideline 67/548/EEC Annex V
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
1995
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
gas chromatography
Type:
log Pow
Partition coefficient:
> 4.7
Temp.:
23 °C
Remarks on result:
other: see 'Remarks'
Remarks:
No pH-value stated in the study report.
Details on results:
Experiment 1A log Pow > 4.79
Experiment 1B log Pow = 4.75
Average (1A and 1B) log Pow > 4.77
Experiment 2A log Pow > 4.42
Experiment 2B log Pow > 4.45
Average (2A and 2B) log Pow > 4.44
Experiment 3A log Pow > 4.14
Experiment 3B log Pow > 4.14
Average (3A and 3B) log Pow > 4.14

Within the development of the analytical method, the solubility in n-octanol could be estimated. 1025.3 mg/L of the test item could be dissolved in n-octanol.

The partition coefficient was calculated as log Pow above 2.0. Due to this fact the partition coefficient n-octanol/water of the test item at ambient temperature could be determined by the shake flask method.

The recovery of the standard for the aqueous phases is at 97.6 %, indicating a good accuracy of the analytical method.

The recoveries of the standards for the octanol phases range from 89.5 % to 98.7 %. The deviation of standard E is noteworthy. A similar value for the deviation can also be found in some mass balances of the test.

However, the deviations of the standard and of the mass balances of the other flasks have no effect to the result. One can assume that the amount of substance missing is situated in the oil phase. This would give a higher value of log Pow. This does not change the final result of the study. Therefore, the test has not been performed again.

Due to the low water solubility, which has been determined, it can be assumed that no further amount of the test item could be in the water phases.

Conclusions:
The partition coefficient log Pow of the substance is > 4.7
Executive summary:

The partition coefficient n-octanol/water of the test item was tested according to EU Method A.8 (Guideline 67/548/EEC Annex V) and OECD Guideline 107 in a GLP study. The partition coefficient log POW of the substance is > 4.7.

Description of key information

The partition coefficient n-octanol/water of the test item was tested according to EU Method A.8 (Guideline 67/548/EEC Annex V) and OECD Guideline 107 in a GLP study. The partition coefficient log POW of the substance is > 4.7.

Key value for chemical safety assessment

Additional information

No pH-value stated in the study report.