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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP study according to EU/OECD guideline

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
3013

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
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:
methyl 1-(3-chloropyridin-2-yl)-5-hydroxy-3-(hydroxymethyl)-4,5-dihydro-1H-pyrazole-5-carboxylate
Cas Number:
1312304-36-1
Molecular formula:
C11H12ClN3O4
IUPAC Name:
methyl 1-(3-chloropyridin-2-yl)-5-hydroxy-3-(hydroxymethyl)-4,5-dihydro-1H-pyrazole-5-carboxylate

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
1.954
Temp.:
23 °C
pH:
5.2
Type:
log Pow
Partition coefficient:
0.3
Temp.:
23 °C
pH:
5.2

Any other information on results incl. tables

Partition coefficient of BCS-CR33212, technical substance, at room temperature (23 °C)

Distilled water : Measured pH: 5.2

Pow : 1.954

log Pow : 0.3

Applicant's summary and conclusion