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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
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:
2.1 - 5
Temp.:
25 °C
Remarks on result:
other: pH not relevant
Details on results:
Four peaks of the test item with retention times between 4.4 and 32.5 minutes were detected. For these components the log Pow values were calculated based on the calibration data obtained with the reference substances (for details see Table 1).

Table 1 HPLC determination of log Pow

Chemical name

Retention time (min)*

log k'

log Pow

Thiourea

2.47

--

--

Acetanilide

2.96

-0.707

0.68

Acetophenone

3.83

-0.261

1.76

Methyl Benzoate

4.74

-0.037

2.31

Ethyl Benzoate

6.24

0.183

2.85

Benzophenone

7.52

0.31

3.16

Naphthalene

9.70

0.466

3.54

Triphenylamine

53.93

1.318

5.61

Test Material

peak 1

4.36

-0.116

2.12

peak 2

20.26

0.857

4.49

peak 3

22.21

0.902

4.60

peak 4

32.47

1.084

5.04

*: Mean of six measurements (three series with two parallel injections each); CV% 0.0-1.2

Equation curve: log Pow = (log k'+0.984)/0.410 (Rsq = 0.984)

Description of key information

Log Pow  2.1-5.0 at 25°C (OECD 117, EU A8)

Key value for chemical safety assessment

Additional information

Log Kow (Log Pow) 2.1 - 5.0 at the temperature of 25°C


The test material is a UVCB substance. Four peaks of the test item with retention times between 4.4 and 32.5 minutes were detected. The log Pow value was calculated for each component.