Registration Dossier

Diss Factsheets

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:
2009

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

Constituent 1
Chemical structure
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.

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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