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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:
06 July 2006 to 16 August 2006
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
not specified
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
GLP compliance:
yes (incl. QA statement)
Remarks:
RCC Ltd., CH-4452 Itingen, Switzerland
Type of method:
other: calculated
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
Identity: FAT 40826/A
Batch: TZ 5604 BOP 01/06
Purity: Content of organic part (Na-salt): approx. 78 %
Oligomers: 13 %
Main component: approx. 48 %
Appearance: Solid, orange powder
Expiration date: February 01, 2011
Storage: At room temperature at about 20 °C in a desiccator.
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
< -6.1
Remarks on result:
other: Calculated value
Details on results:
Neither the HPLC-method according to OECD Guideline No. 117 nor the flask-shaking method according to OECD Guideline No. 107 were applicable for the determination of the partition coefficient of FAT 40826/A. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water, respectively. In the present study, the water solubility of FAT 40826/A was found to be >740 g/L and the n-octanol solubility of FAT 40826/A was determined to be <0.636 ug/ml.
Conclusions:
The calculated partition coefficient of FAT 40826 between n-octanol and aqueous phase is: log Pow = <-6.1
Executive summary:

In a GLP-compliant study, performed according to OECD guideline 117 and 107, the partition coefficient of the test substance between n-octanol and aqueous phase was determined. Neither the HPLC-method nor the flask-shaking method were applicable for the determination of the partition coefficient of the test substance. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water. The calculated partition coefficient of the test substance between n-octanol and aqueous phase is: log Pow = <-6.1.

Description of key information

The calculated partition coefficient of the test substance between n-octanol and aqueous phase is: log Pow = <-6.1.

Key value for chemical safety assessment

Log Kow (Log Pow):
-6.1
at the temperature of:
20 °C

Additional information

In a GLP-compliant study, performed according to OECD guideline 117 and 107, the partition coefficient of the test substance between n-octanol and aqueous phase was determined (RCC 2006). Neither the HPLC-method nor the flask-shaking method were applicable for the determination of the partition coefficient of the test substance. Thus, the log Pow-value for the test item was estimated from its solubility in n-octanol and in water. The calculated partition coefficient of the test substance between n-octanol and aqueous phase is: log Pow = <-6.1.

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