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Physical & Chemical properties

Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
20 May 2003 - 30 May 2003
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study performed according to guideline.
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
Issued by: THE DEPARTMENT OF HEALTH OF THE GOVERNMENT OF THE UNITED KINGDOM Inspection date: 2 December 2002
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
< 0.3
Temp.:
40 °C
pH:
7
Remarks on result:
other: 3% HPLC peak area
Type:
log Pow
Partition coefficient:
>= 1.8 - <= 6
Temp.:
40 °C
pH:
7
Remarks on result:
other: 59% HPLC peak area
Type:
log Pow
Partition coefficient:
> 7.1
Temp.:
40 °C
pH:
7
Remarks on result:
other: 38% HPLC peak area
Details on results:
The HPLC separated multiple components with log Pow values ranging from <0.3 to > 7.1 . Log Pow values for individual components are given in Table 5.

Table 5. Retention Times, Capacity Factors, and log Pow for Test Material

Component

Injection #

Retention time (min)

Mean retention time (min)

k

log k

log Pow

Pow

% area

1

1

< 3.664

< 3.664

<0.198

<0.703

< 0.3

< 2.00

2.99

2

< 3.664

2

1

4.507

4.4965

0.470405

0.3275276

1.81

64.9

23.90

2

4.486

3

1

6.796

6.781

1.217462

0.0854556

3.19

1.54X103

11.00

2

6.766

4

1

7.791

7.79

1.547417

0.1896073

3.53

3.41x103

1.28

2

7.789

5

1

8.473

8.518

1.785481

0.2517552

3.74

5.53 x103

0.29

2

8.563

6

1

9.329

9.329

2.050687

0.3118993

3.94

8.77x103

2.35

2

9.329

7

1

10.574

10.572

2.457162

0.3904337

4.2

1.60x104

2.63

2

10.57

8

1

15.209

15.0995

3.937704

0.5952431

4.89

7.69x104

9.82

2

14.99

9

1

17.574

17.3825

4.684271

0.670642

5.14

1.38x105

3.68

2

17.191

10

1

28.935

28.9705

8.473676

0.9280718

6.00

9.93x105

4.08

2

29.006

11

1

>71.937

>71.937

>22.524

>1.353

>7.1

>1.26x106

38.00

2

>71.937
Conclusions:
The test substance is a mixture of components with partition coefficients ranging from Log Pow < 0.30 to >7.10.
Executive summary:

The partition coefficient of the test material was determined by an HPLC method, following OECD 117 guidelines. The test substance is a mixture of several components. LogPow values of the components were determined from a calibration curve constructed from a plot of log k vs.log Pow values for reference standards. Reference standards were selected from among those recommended in the guideline.

The log Pow values of the components eluted from the HPLC column ranged from < 0.30 to > 7.10 with the following distribution based on peak area %:

logPow

Area %

< 0.3

3

1.81 to 6.00

59

> 7.1

38

Description of key information

The log Pow values of the components eluted from the HPLC column ranged from < 0.30 to > 7.10 (OECD 117).

Key value for chemical safety assessment

Log Kow (Log Pow):
6
at the temperature of:
40 °C

Additional information

The partition coefficient of the test material was determined by an HPLC method, following OECD 117 guidelines. The test substance is a mixture of several components. LogPow values of the components were determined from a calibration curve constructed from a plot of log k vs.log Pow values for reference standards. Reference standards were selected from among those recommended in the guideline. The log Pow values of the components eluted from the HPLC column ranged from < 0.30 to > 7.10 with the following distribution based on peak area %:

logPow

Area %

<0.3

3

1.81 to 6.00

59

> 7.1

38