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Physical & Chemical properties

Partition coefficient

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Administrative data

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
< 1
Temp.:
25 °C
pH:
4
Remarks on result:
other: logPow obtained for the amine component of the the test material
Key result
Type:
log Pow
Partition coefficient:
2.9
Temp.:
25 °C
pH:
7
Remarks on result:
other: logPow obtained for the amine component of the the test material
Key result
Type:
log Pow
Partition coefficient:
4.1
Temp.:
25 °C
pH:
9
Remarks on result:
other: logPow obtained for the amine component of the the test material
Key result
Type:
log Pow
Partition coefficient:
1.4
Temp.:
25 °C
pH:
4 - 9
Remarks on result:
other: logPow obtained for the phosphate component of the the test material at pH 4, 7 and 9
Details on results:
pH 4 test: The amine component of the test material showed a retention time less than that of the lowest reference standard, acetanilide, indicating a log10Pow value of less than 1.0. It co-eluted with the deadtime standard, as indicated by an enhanced response of this peak versus that in the standard chromatogram (approximately 330 versus 310 area units). Its presence was also indicated by analysis of a more concentrated stock solution. The amine component chromatographed as a very broad peak in this injection matrix, but with an onset at the approximate retention time of the deadtime standard.

pH 7 and pH 9 tests: Calibration plots of log10k versus log10Pow were constructed for the reference standards. The logarithms of the capacity factors for the test material were then calculated and the log10Pow values were determined by interpolation.

See attached background material "result tables for partition coefficient (BYK-LB N 22654).pdf"

Description of key information

Log Pow : < 1.0 at pH 4, 2.9 at pH 7, and 4.1 at pH 9 at 25°C (OECD 117, EU A8)

Key value for chemical safety assessment

Additional information