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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2020
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)
Version / remarks:
April 13, 2004
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Version / remarks:
August 1996
Qualifier:
according to guideline
Guideline:
other: EC Guideline A.24. Partition Coefficient (n-octanol/water), High Performance Liquid Chromatography (HPLC) Method.
Version / remarks:
March 04, 2016
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
0.6
pH:
7
Remarks on result:
other: Test item - peak 1 (96% area under curve)
Type:
log Pow
Partition coefficient:
2.4
pH:
7
Remarks on result:
other: Test item - peak 2 (4% area under curve)
Type:
log Pow
Partition coefficient:
< 0.3
pH:
2
Remarks on result:
other: Test item - peak 1 (97.4% area under curve)
Type:
log Pow
pH:
2
Remarks on result:
not determinable
Remarks:
Test item - peak 2 (2.6% area under curve)
Conclusions:
The HPLC method at neutral pH and pH 2 was applied for the determination of the partition coefficient (Pow) of CH03951.

The Pow and log Pow values of the test item at neutral pH and pH 2 were:

neutral pH
Test item – peak 1: Pow = 4.1 * 10^0 log Pow = 0.6 Area under curve = 96.0
Test item – peak 2: Pow = 2.5 * 10^2 log Pow = 2.4 Area under curve = 4.0

pH 2:
Test item – peak 1: Pow = <1.9 * 10^0 log Pow = < 0.3 Area under curve = 97.4
Test item – peak 2: Pow = not determined log Pow = not determined Area under curve = 2.6

Description of key information

A Log Kow  of 0.6 was experimentally determined.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.6
at the temperature of:
20 °C

Additional information