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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From July 6 to 7, 2004
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: GLP study performed according to OECD Guideline 117 with minor deviations: no certificate of analysis of the test substance; no data on pH of the test solutions
Reason / purpose:
reference to same study
Reason / purpose:
reference to other study
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
yes
Remarks:
no certificate of analysis of the test substance; no data on pH of the test solutions
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
Deviations:
yes
Remarks:
no certificate of analysis of the test substance; no data on pH of the test solutions
Principles of method if other than guideline:
Not applicable
GLP compliance:
yes (incl. certificate)
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
4.4
Temp.:
35 °C
Remarks on result:
other: pH not available
Details on results:
- Partition coefficient, estimated with KOWWIN software (Syracuse Research Corporation, Syracuse, USA) = 5.14
- Partition coefficient, measured with reverse phase HPLC = 4.4
- See table 2 for more data

Table 2: Partition coefficient determination by reverse-phase HPLC 

 

Chemical

 log Pow

 tR1 

 tR2 

 tRm 

 k 

 log k 

Test substance

RADJANOL SUPER

 4.4 

 11.388 

 11.392 

 11.390 

 5.6511 

 0.7521 

Reference substances

 Thiourea 

  

 1.71 

 1.71 

 1.71

 

 

 Aniline 

 0.9 

 2.62 

 2.61 

 2.61 

 0.526 

-0.279 

 Methyl benzoate 

 2.1 

 3.83 

 3.83 

 3.83 

 1.238 

 0.093 

 Benzophenone 

 3.2 

 5.63 

 5.64 

 5.64 

 2.291 

 0.360 

 Naphthalene 

 3.6 

 6.61 

 6.82 

 6.72 

 2.923 

 0.466 

 1,2,4-trichlorobenzene 

 4.2 

 11.06 

 11.08 

 11.07 

 5.463 

 0.737 

 n-Butylbenzene 

 4.6 

 14.06 

 14.09 

 14.07 

 7.216 

 0.858 

 Triphenylamine 

 5.7 

 23.96 

 24.03 

 23.99 

 13.009 

 1.114 

* The determination was performed at 35 °C (temperature of the column), but the value obtained above can be considered to represent the value at an unspecified, probably ambient temperature.

Conclusions:
The partition coefficient, log Pow, was determined to be 4.4 at 35 °C using reverse-phase HPLC.
Executive summary:

A GLP study was conducted to determine the partition coefficient according to OECD Guideline 117, reverse-phase HPLC method. Acetonitrile/water mixture, 6:4 (v/v), was used as the mobile phase. Partition coefficient, estimated with KOWWIN software (Syracuse Research Corporation, Syracuse, USA) was 5.14.

 

The partition coefficient was determined to be 4.4 at 35 °C.

Description of key information

Partition coefficient (OECD 117): Reverse phase HPLC, log Pow = 4.4 at 35°C.

Key value for chemical safety assessment

Log Kow (Log Pow):
4.4
at the temperature of:
35 °C

Additional information

This experimental value was measured in a GLP study performed according to OECD Guideline 117 with minor deviations. Therefore a reliability of 2 is assigned. This value is confirmed by another measurement in the same range given in an oldest study and can be retained as key value for chemical safety assessment.