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: 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 3-(chloromethyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylate
EC Number:
936-879-0
Cas Number:
1247712-63-5
Molecular formula:
C11H9Cl2N3O2
IUPAC Name:
methyl 3-(chloromethyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylate

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
85.5
Temp.:
22 °C
pH:
6.75
Remarks on result:
other: Exp. 1A
Type:
Pow
Partition coefficient:
87.8
Temp.:
22 °C
pH:
6.78
Remarks on result:
other: Exp. 1B
Type:
Pow
Partition coefficient:
80.9
Temp.:
22 °C
pH:
6.69
Remarks on result:
other: Exp. 2A
Type:
Pow
Partition coefficient:
86.4
Temp.:
22 °C
pH:
6.67
Remarks on result:
other: Exp. 2B
Type:
Pow
Partition coefficient:
89
Temp.:
22 °C
pH:
6.59
Remarks on result:
other: Exp. 3A
Type:
Pow
Partition coefficient:
90.3
Temp.:
22 °C
pH:
6.66
Remarks on result:
other: Exp. 3B
Type:
Pow
Partition coefficient:
86.7
Temp.:
22 °C
pH:
> 6.75
Remarks on result:
other: Average Pow Exp. 1A+B
Type:
Pow
Partition coefficient:
83.7
Temp.:
22 °C
pH:
> 6.67
Remarks on result:
other: Average Pow Exp. 2A+B
Type:
Pow
Partition coefficient:
89.7
Temp.:
22 °C
pH:
> 6.59
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  1.94 22 > 6.75 Average Exp. 1
log Pow  1.92 22 > 6.67  Average Exp. 2
log Pow  1.95 22 > 6.59  Average Exp. 3
Pow 87 22 6.7 mean result
log Pow 1.9 22 6.7 mean result

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item at 22 °C, at pH 6.7 was Pow = 87, log Pow = 1.9.