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EC number: 814-072-3 | CAS number: 77614-79-0
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 11-Sep-2018 to 23-May-2019
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient - Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Hess. Ministerium fur Umwelt, ländlichen Raum und Verbraucherschutz, Wiesbaden, Germany
- Type of method:
- other: Flask method and HPLC method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3,5-bis(difluoromethyl)-1H-pyrazole
- EC Number:
- 814-072-3
- Cas Number:
- 77614-79-0
- Molecular formula:
- C5H4F4N2
- IUPAC Name:
- 3,5-bis(difluoromethyl)-1H-pyrazole
- Test material form:
- solid
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- log Pow
- Partition coefficient:
- 1.57
- Temp.:
- 22 °C
- pH:
- 5
- Remarks on result:
- other: Determined according to OECD 107
- Type:
- log Pow
- Partition coefficient:
- 1.59
- Temp.:
- 22 °C
- pH:
- 7
- Remarks on result:
- other: Determined according to OECD 107
- Type:
- log Pow
- Partition coefficient:
- 1.4
- Temp.:
- 25 °C
- pH:
- 5
- Remarks on result:
- other: Determined according to OECD 117
- Type:
- log Pow
- Partition coefficient:
- 1.4
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: Determined according to OECD 117
- Type:
- log Pow
- Partition coefficient:
- 1.2
- Temp.:
- 25 °C
- pH:
- 9
- Remarks on result:
- other: Determined according to OECD 117
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the test item was determined to be 1.57 at pH 5 (22 °C) and 1.59 at pH 7 (22 °C) according to OECD 107, and 1.4 at pH 5 (25 °C), 1.4 at pH 7 (25 °C) and 1.2 at pH 9 (25 °C) according to OECD 117.
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