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Partition coefficient

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Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2002-07-01 - 2002-07-05 (experimental phase)
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)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Storage condition of test material: at room temperature (at about 20 °C)
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-0.4
Temp.:
20 °C
pH:
>= 6.23 - <= 6.85
Conclusions:
The partition coefficient of the test item, determined in a GLP study according to OECD 107 resp. OECD 117 resp. EU Method A.8., was determined to be log Pow = - 0.4.
Executive summary:

The determination of the partition coefficient log Pow of 1,3-Dimethyl-4-aminouracil (CD 19-0456) was performed using the flask shaking method as described in OECD guideline no. 107 and EEC Directive 92/69, Section A.8.

During the main study, three tests were carried out, each in duplicate, with volume ratios of both solvents of 1:1, 2:1 and 1:2. After equilibration the concentration of the test item was determined in every phase by HPLC. The log Pow was calculated for each of the six vessels and was found to be in the range of -0.45 to -0.42.

In order to check the analytical work, the mass balance for each vessel was calculated, too, and the recovery of the test item was found to be in the range of 99 % to 102 %.

In conciusion, the partition coefficient of 1,3-Dimethyi-4-aminouracil (CD 19-0456) was determined to be log Pow = - 0.4 using the flask shaking method.

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
supporting study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
-0.44
Temp.:
23 °C
pH:
6

Description of key information

Partition coefficient

- -0.4 at 20°C, pH 6.2-6.9 (flask method, OECD 107, GLP)

- -0.44 at 23°C, pH 6.0 (flask method, OECD 107, GLP)

- -1.26 at 25°C (KOWWIN v1.67 estimation)

- -1.26 at 25°C (QSAR estimation, database entry)

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.4
at the temperature of:
20 °C

Additional information