Registration Dossier
Registration Dossier
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EC number: 619-511-0 | CAS number: 141573-96-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 009
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.8 (Partition Coefficient)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- EC Number:
- 700-093-4
- Cas Number:
- 176969-34-9
- Molecular formula:
- C6H6F2N2O2
- IUPAC Name:
- 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
- Details on test material:
- Due to the fast hydrolysis of the subtance subject to this registration dossier, the water solubility was determinded using the corresponding free acid.
Constituent 1
Results and discussion
Partition coefficientopen allclose all
- Type:
- Pow
- Partition coefficient:
- 3.1
- Temp.:
- 23 °C
- pH:
- 3.5
- Remarks on result:
- other: in distilled water
- Type:
- log Pow
- Partition coefficient:
- 0.006
- Temp.:
- 23 °C
- pH:
- 3.5
- Remarks on result:
- other: in distilled water
- Type:
- Pow
- Partition coefficient:
- 0.5
- Temp.:
- 23 °C
- pH:
- 7.1
- Remarks on result:
- other: in pH 7 buffered medium
- Type:
- log Pow
- Partition coefficient:
- -2.2
- Temp.:
- 23 °C
- pH:
- 7.1
- Remarks on result:
- other: in pH7 buffered medium
Applicant's summary and conclusion
- Executive summary:
The partition coefficients 1-octanol/water of the test item 3-(difluoromethyl)-1- methylpyrazole-4-carboxylic acid (AE 1954999) were determined at pH 3.5 (mainly undissociated form) and at pH 7 (dissociated form) at room temperature (23 °C) according to the "shake flask method" described in EEC Test Guideline 92/69, A.8., OECD Test Guideline 107 and EPA Product Properties Test Guideline OPPTS 830.7550. The concentrations of the test item in the 1-octanol phases and in the aqueous phases were quantified by HPLC analyses. The used HPLC method (reversed phase) was validated and found to be valid.
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