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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:
1998-09-21 to 1998-10-20
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of relevant results.
Qualifier:
according to
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to
Guideline:
EU Method A.8 (Partition Coefficient)
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:
4
Temp.:
35 °C
Remarks on result:
other: the value obtained could represent the results under ambient temperature
Remarks:
Information on pH is not available

The determination was performed at 35 °C (temperature of the column), but the value obtained 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 reference substance log Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Partition coefficient determination by reverse-phase HPLC

Reference substances

Log Pow

tR1

tR2

tRm

k

Log k

Thiourea

 

1.80

1.80

1.80

 

 

Aniline

0.9

2.62

2.62

2.62

0.452

-0.345

Methyl benzoate

2.1

3.61

3.61

3.61

1.002

0.001

Benzophenone

3.2

5.04

5.03

5.03

1.794

0.254

Naphthalene

3.6

5.88

5.88

5.88

2.265

0.355

1,2,4-Trichlorobenzene

4.2

8.98

8.98

8.98

3.986

0.601

n-Butylbenzene

4.6

11.07

11.06

11.06

5.142

0.711

Triphenylamine

5.7

18.04

18.03

18.03

9.009

0.955

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= 0.99442

Slope: a= 3.6101

Y-axis intercept: b= 2.16576

Test substance:

tR1= 7.743, tR2= 7.743 therefore tRm= 7.743

Therefore k= 3.298

Therefore log k= 0.518

Therefore log Pow= 4.0

Conclusions:
The partition coefficient n-octanol/ water of the test substance was determined according to the OECD guideline No. 117. The log Pow of the test substance was found to be 4.0 at 35 °C.
Executive summary:

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

The result was log Pow= 4.0.

Description of key information

Partition coefficient Log Pow = 4.0 (OECD 117)

Key value for chemical safety assessment

Log Kow (Log Pow):
4

Additional information

The determination was performed at 35°C (temperature of the column), but the value obtained 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.