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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Data source

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

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)-3-(hydroxymethyl)-1H-pyrazole-5-carboxylate
EC Number:
937-132-1
Cas Number:
960316-73-8
Molecular formula:
C11H10ClN3O3
IUPAC Name:
methyl 1-(3-chloropyridin-2-yl)-3-(hydroxymethyl)-1H-pyrazole-5-carboxylate

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
3.235
Temp.:
23 °C
pH:
6.98
Remarks on result:
other: Exp. 1A
Type:
Pow
Partition coefficient:
3.287
Temp.:
23 °C
pH:
6.93
Remarks on result:
other: Exp. 1B
Type:
Pow
Partition coefficient:
3.143
Temp.:
23 °C
pH:
6.83
Remarks on result:
other: Exp. 2A
Type:
Pow
Partition coefficient:
3.039
Temp.:
23 °C
pH:
6.82
Remarks on result:
other: Exp. 2B
Type:
Pow
Partition coefficient:
3.145
Temp.:
23 °C
pH:
6.84
Remarks on result:
other: Exp. 3A
Type:
Pow
Partition coefficient:
3.089
Temp.:
23 °C
pH:
6.82
Remarks on result:
other: Exp. 3B
Type:
Pow
Partition coefficient:
3.261
Temp.:
23 °C
pH:
> 6.9
Remarks on result:
other: Average Pow Exp. 1A+B
Type:
Pow
Partition coefficient:
3.091
Temp.:
23 °C
pH:
> 6.8
Remarks on result:
other: Average Pow Exp. 2A+B
Type:
Pow
Partition coefficient:
3.117
Temp.:
23 °C
pH:
> 6.8
Remarks on result:
other: Average Pow Exp. 3A+B

Any other information on results incl. tables

Type  Partition coefficient  Temp. / °C  pH  Remarks
log Pow  0.51 23 > 6.9 Average Exp. 1
log Pow  0.49 23 > 6.8  Average Exp. 2
log Pow  0.49 23 > 6.8  Average Exp. 3
Pow 3.156 23 6.9 mean result
log Pow 0.5 23 6.9 mean result

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item at 23 °C, at pH 6.9 was Pow = 3.156, log Pow = 0.5.