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EC number: 203-674-6 | CAS number: 109-46-6
Partition coefficient
Administrative data
Link to relevant study record(s)
- 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
- Qualifier:
- equivalent or similar to guideline
- 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
- 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.
Reference
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.
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