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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:
Study initiation: 29 July 1997. Study completion: 31 July 1997
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study.
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
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:
1
Temp.:
35 °C
pH:
ca. 7

Partition coefficient determination by reverse-phase HPLC

Reference substance

Log Pow

tR1

tR2

tRm

k

Log k

Thiourea

 

1.80

1.80

1.80

 

 

Aniline

0.9

2.73

2.74

2.74

0.519

-0.285

Methyl benzoate

2.1

3.65

3.65

3.65

1.025

0.011

Benzophenone

3.2

5.11

5.11

5.11

1.837

0.264

Naphthalene

3.6

5.99

5.99

5.99

2.326

0.367

1,2,4-Trichlorobenzene

4.2

9.19

9.19

9.19

4.101

0.613

n-Butylbenzene

4.6

11.35

11.35

11.35

5.301

0.724

Triphenylamine

5.7

18.62

18.63

18.62

9.340

0.970

 

tR1, tR2, tRm : retention times (1stcalibration, 2ndcalibration, average)

k= (tR/t0)-1 : capacity factor, t0: “dead time”, i.e. retention time of thiourea

Linear regression parameters: Log Pow= a * log k + b

Correlation coefficient: r²= 0.99284

Slope: a= 3.7006

Y-axis intercept: b= 2.06285

 

Test substance:

tR1= 2.706 and tR2= 2.707 therefore tRm= 2.7065

k= 0.503 therefore log k= -0.299

log Pow= 1.0

Conclusions:
The partition coefficient of the test substance was measured according to guideline OECD No.117. The partition coefficient n-octanol/water of the test substance was found to be log Pow= 1.0.

The determination was performed at 35 °C (temperature of the column), but this value can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.
Executive summary:

The partition coefficient n-octanol/ water of the test item was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to OECD Guidelines for Testing Chemicals, Method No. 117.

The result is: Log Pow= 1.0

Description of key information

The partition coefficient of the test substance was measured according to guideline OECD No.117. The partition coefficient n-octanol/water of the test substance was found to be log Pow= 1.0.

The determination was performed at 35 °C (temperature of the column), but this value can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Key value for chemical safety assessment

Log Kow (Log Pow):
1
at the temperature of:
35 °C

Additional information

The partition coefficient n-octanol/ water of the test item was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to OECD Guidelines for Testing Chemicals, Method No. 117.

The result is: Log Pow= 1.0