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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: 2c : comparable to guideline study with acceptable restrictions
Reference:
Composition 0
Qualifier:
equivalent or similar to
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
2.75
pH:
6.5
Remarks on result:
other: n=6
Type:
log Pow
Partition coefficient:
2.75
pH:
12
Remarks on result:
other: n=6
Executive summary:

The partition coefficient of N,N'-dibutylthiourea was evaluated in a study performed according to the principles of the shake-flask method. The partition coefficient was 2.75 at both pH = 6.5 and pH = 12.

Description of key information

The partition coefficient of 1,3 -dibutyl-2-thiourea was determined in a study performed according to the principles of the shake-flask method (log Kow = 2.75)  and was confirmed with the use of QSAR as the substance falls within the applicability domain of the model.

Key value for chemical safety assessment

Log Kow (Log Pow):
2.75

Additional information

According to the principles of the shake-flask method, the partition coefficient was 2.75 at both pH = 6.5 and pH = 12. The predicted Log Kow for 1,3'-dibutyl-2-thiourea by QSAR was 2.57 and confirms the experimental value.