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 to EU/OECD guideline.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012

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:
2,2-Difluoroethanamine
EC Number:
671-709-6
Cas Number:
430-67-1
Molecular formula:
C2H5F2N
IUPAC Name:
2,2-Difluoroethanamine

Results and discussion

Partition coefficientopen allclose all
Type:
Pow
Partition coefficient:
28
Temp.:
22 °C
pH:
9.11
Remarks on result:
other: Exp. 1A
Type:
Pow
Partition coefficient:
24.38
Temp.:
22 °C
pH:
9.03
Remarks on result:
other: Exp. 1B
Type:
Pow
Partition coefficient:
16.21
Temp.:
22 °C
pH:
9.11
Remarks on result:
other: Exp. 2A
Type:
Pow
Partition coefficient:
16.7
Temp.:
22 °C
pH:
9.2
Remarks on result:
other: Exp. 2B
Type:
Pow
Partition coefficient:
26.72
Temp.:
22 °C
pH:
9
Remarks on result:
other: Exp. 3A
Type:
Pow
Partition coefficient:
26.32
Temp.:
22 °C
pH:
8.87
Remarks on result:
other: Exp. 3B
Type:
Pow
Partition coefficient:
26.19
Temp.:
22 °C
pH:
> 9
Remarks on result:
other: Average Pow Exp.1A+B
Type:
Pow
Partition coefficient:
16.45
Temp.:
22 °C
pH:
> 9
Remarks on result:
other: Average Pow Exp. 2A+B
Type:
Pow
Partition coefficient:
26.52
Temp.:
22 °C
pH:
> 8.8
Remarks on result:
other: Average Pow Exp. 3 A+B

Any other information on results incl. tables

 Type  Partition coefficient  Temp. / °C  pH  Remarks
logPow   1.42 22  > 9  Average Exp. 1
logPow   1.22  22 > 9  Average Exp. 2
logPow   1.42  22 > 8.8  Average Exp. 3
Pow  23  22 9.1  mean result
logPow  1.4  22  9.1    mean result

Applicant's summary and conclusion

Conclusions:
The partition coefficient of the test item at room temperature (mean 22 °C), at pH9.1 was Pow = 23, logPow=1.4.