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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Study period:
Start of experiment: 15 March 1999; Experiment end date - 17 March 1999; Study completion date - 28 April 1999.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Version / remarks:
OECD 117, Directive 92/69/EC, A.8 Estimation from solubility in n-octanol and water
GLP compliance:
yes (incl. QA statement)
Type of method:
other: estimated from the solubility of test substance in water and n-octanol
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
The test article had the following physico-chemical properties:
Name: 40574/B
Batch no: WP 23/PP
Expiry date: 08 February 2006
Storage: At room temperature about 20 °C.
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
ca. -5
Temp.:
20 °C
Remarks on result:
other: pH not determinated

Based on the results of the pretest, neither the flask method nor the HPLC-method were applicable for the determination of the Log Po/w. Therefore, the value was estimated from the solubility of test substance in water and n-octanol.

Conclusions:
The partition coefficient, log Pow, of FAT 40'574/B was estimated to be - 5
Executive summary:

In the present study the n-octanol/water partition coefficient of FAT 40574/B was estimated using a calculation method according to EEC Directive 92/69. In the preliminary test, a very good solubility in water and a very poor solubility in n-octanol was found indicating a partition coefficient far below -2. Hence, a main test according to OECD Guidelines 107/117 (either HPLC or flask shaking method) could not be applied. Therefore, the partition coefficient of FAT 40574/B was estimated using the solubility data in n-octanol as obtained in the preliminary test. Based on the findings of this study, the partition coefficient, log Pow, of FAT 40574/B was estimated to be - 5.

Description of key information

The calculated partition coefficient of the test substance between n-octanol and aqueous phase is: log Pow = -5. A log Kow value of -1 is used in the assessment (minimum value for EUSES).

Key value for chemical safety assessment

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

Additional information

In the present study the n-octanol/water partition coefficient of FAT 40574/B was estimated using a calculation method according to EEC Directive 92/69. In the preliminary test, a very good solubility in water and a very poor solubility in n-octanol was found indicating a partition coefficient far below -2. Hence, a main test according to OECD Guidelines 107/117 (either HPLC or flask shaking method) could not be applied. Therefore, the partition coefficient of FAT 40574/B was estimated using the solubility data in n-octanol as obtained in the preliminary test. Based on the findings of this study, the partition coefficient, log Pow, of FAT 40574/B was estimated to be - 5.