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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:
1998-09-02 to 1998-09-10
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Version / remarks:
1992
Deviations:
no
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Analytical method:
high-performance liquid chromatography
Key result
Type:
log Pow
Partition coefficient:
3.1
Temp.:
40 °C
pH:
6.8

Results:

Calibration substances

Retention time [min]*

Capacity factor K´

Log K´

Log Pow

benzyl alcohol

3.288

0.357

-0.447

1.1

benzonitrile

4.33

0.787

-0.104

1.6

chlorobenzene

6.095

1.516

0.181

2.8

1.4-dichlorobenzene

7.55

2.116

0.326

3.4

1.2.4-trichlorobenzene

9.638

2.978

0.474

4.2

bibenzyl

12.718

4.249

0.628

4.8

Test item

6.259

1.583

0.199

3.1

*mean value from 3 single values.

Effective correlation: log K´ = a + b*log Pow

Capacity factor K´: K´= (tR-t0)/t0

Dead time t0: 2.423 min (determined via thiourea)

a = -0.62485

b = 0.26855

r = 0.98153 (correlation factor)

Conclusions:
The partition coefficient (n-octanol/water, log Pow) of the test item was determined to be 3.1 at 40 °C (HPLC-column working temperature).
Executive summary:

A study of the partition coefficient (n-octanol/water, log Pow) of the test item was conducted according to EG-guideline 92/69 method A.8 and GLP. High performance liquid chromatography (HPLC)-method was applied in this study. The dead time of the system was determined using thiourea. Six reference substances with a range of log Pow values from 1.1 to 4.8 were chosen to determine the linear regression of the test system. Based on this method the log Pow value of the test item was determined to be 3.1 at 40 °C (HPLC-column working temperature).

Description of key information

Key value for chemical safety assessment

Log Kow (Log Pow):
3.1
at the temperature of:
40 °C

Additional information

A study of the partition coefficient (n-octanol/water, log Pow) of the test item was conducted according to EG-guideline 92/69 method A.8 and GLP. High performance liquid chromatography (HPLC)-method was applied in this study. The dead time of the system was determined using thiourea. Six reference substances with a range of log Kow values from 1.1 to 4.8 were chosen to determine the linear regression of the test system. Based on this method the log Kow value of the test item was determined to be 3.1 at 40 °C (HPLC-column working temperature).