Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Partition coefficient

Currently viewing:

Administrative data

Link to relevant study record(s)

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 for cross-reference:
reference to same study
Reason / purpose for cross-reference:
reference to other study
Qualifier:
according to guideline
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
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. 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:
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.