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EC number: 203-004-2 | CAS number: 102-08-9
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1985
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The methode is similar to the OECD 107 guideline
- GLP compliance:
- no
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 2
- pH:
- 6.5
- Remarks on result:
- other: N=8
- Type:
- log Pow
- Partition coefficient:
- 1.51
- pH:
- 12
- Remarks on result:
- other: N=4
- Conclusions:
- According to Govers H et al., log Kow of DPTU (1,3-diphenyl-2-thiourea) is about 2 at pH 6.5 and 1.51 at pH 12.
- Executive summary:
The partition coefficient of 1,3-diphenyl-2-thiourea was evaluated in a study performed according to the principles of the shake-flask method.The partition coefficient was 2 at pH = 6.5 and 1.51 at pH = 12.
Reference
Description of key information
The partition coefficient was evaluated in a study performed according to the principles of the shake-flask method.
This result is consolidated by QSAR estimations performed with OPERA (v 1.5).
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.6
Additional information
The partition coefficient of 1,3-diphenyl-2-thiourea was evaluated in a study performed according to the principles of the shake-flask method.The partition coefficient was 2 at pH = 6.5 and 1.51 at pH = 12.
The partition coefficient of 1,3-diphenyl-2-thiourea was also estimated by QSAR (OPERA v1.5).The highest partition coefficient estimated is 3.6. This value is used in the risk assessment of the substance.
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