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Physical & Chemical properties

Partition coefficient

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Administrative data

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 June 2006 to 05 July 2006
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
Pow
Partition coefficient:
14 600
pH:
6.6
Remarks on result:
other: column temperature was 30°C
Key result
Type:
log Pow
Partition coefficient:
4.17
pH:
6.6
Remarks on result:
other: column temperature was 30°C

Preliminary estimate

Approximate solubility in n-octanol: 0.163 g/L

Approximate solubility in water: < 0.0072 g/L

Approximate Pow > 22.7, Log10Pow >1.36

Calibration

The retention times of thiourea and the retention times, capacity factors (k) and log10 Pow values for the reference standards are shown in the following table:

Dead time/ standard

Mean retention time (mins)

Capacity factor (k)

Log10 k

Log10 Pow

thiourea

2.488

 

 

 

benzyl alcohol

2.928

0.177

-0.752

1.1

benzonitrile

3.368

0.954

-0.451

1.6

benzene

4.158

0.6781

-0.173

2.1

toluene

4.895

0.968

-1.43 x 10-2

2.7

naphthalene

5.499

1.21

8.30 x 10-2

3.6

DDT

15.694

5.31

0.725

6.5

 

The retention times, capacity factors and log10 Pow values determined for the sample are shown in the following table:

Injection

Mean retention time (mins)

Capacity factor (k)

Log10 k

Log10 Pow

1

6.529

1.63

0.211

4.16

2

6.540

1.63

0.212

4.17

 

Conclusions:
Under the conditions of the study the partition coefficient of the test material was determined to be 14600.
Executive summary:

The octanol-water partition coefficient of the test material was investigated in a study which was conducted in accordance with the standardised guideline EU Method A.8, under GLP conditions, according to the HPLC Method.

Under the conditions of the study the Pow of the test material was determined to be 14600, the Log10 Pow was determined to be 4.17.

Description of key information

Under the conditions of the study the Pow of the test material was determined to be 14600, the Log10 Pow was determined to be 4.17.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.17

Additional information

The octanol-water partition coefficient of the test material was investigated in a study which was conducted in accordance with the standardised guideline EU Method A.8, under GLP conditions, according to the HPLC Method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

Under the conditions of the study the Pow of the test material was determined to be 14600, the Log10 Pow was determined to be 4.17.