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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010

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

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
3.1
Temp.:
23 °C
pH:
3.5
Remarks on result:
other: final pH in distilled water
Type:
log Pow
Partition coefficient:
0.5
Temp.:
23 °C
pH:
3.5
Remarks on result:
other: final pH in distilled water
Type:
Pow
Partition coefficient:
0.006
Temp.:
23 °C
pH:
7.1
Remarks on result:
other: final pH in pH 7 buffer media
Type:
log Pow
Partition coefficient:
-2.2
Temp.:
23 °C
pH:
7.1
Remarks on result:
other: final pH in pH 7 buffer media

Applicant's summary and conclusion