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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:
20th November 1996 to 29th November 1996
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: A GLP compliant 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 the relevant results.
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
Type of method:
HPLC method
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
- Name of test material: 1-phenylethyl acetate
- Physical state: colourless liquid
- Stability: stable in acetonitrile and in the mobile phase
- Name of test material (as cited in study report): Gardenol
- Lot/batch No.: 260657
Analytical method:
high-performance liquid chromatography
Type:
log Pow
Partition coefficient:
2.5
Temp.:
30 °C
Remarks on result:
other: Information on pH is not available
Details on results:
Figure 1: Graphical representation of resultsFigure 2: Chromatogram of reference mixtureFigure 3: Chromatogram of test material

Table 2: Retention times of reference substances

 Reference substances  log Pow  tR1  tR2  tRm  k  log k
 Thoiurea    1.80  1.80  1.80    
 Aniline  0.9  2.64  2.64  2.64  0.466  -0.332
 Methyl benzoate  2.1  3.75  3.75  3.75  1.084  0.035
 Benzophenone  3.2  5.36  5.36  5.36  1.982  0.297
 Naphthalene  3.6  6.35  6.35  6.35  2.531  0.403
 1,2,4-trichlorobenzene  4.2  9.90  9.90  9.90  4.504  0.654
 n-butylbenzene  4.6  12.30  12.31  12.31  5.844  0.767
 Triphenylamine  5.7  20.71  20.72  20.71  10.520  1.022

Table 3: Determination of partition coefficient of test substance

 Substance  tR1  tR2  tRm  k  log k  Log Pow
 1 -phenylethyl acetate  4.155  4.156  4.555  1.311  0.118  2.5
Conclusions:
Under the conditions of the test, the partition-coefficient of the test substance was determined to be log Pow 2.5 at 30 ºC.
Executive summary:

In a GLP compliant partition-coefficient study conducted in line with standardised guidelines OECD 117 and EU Method A.8, the partition-coefficient of the test substance was determined using the HLPC method. The partition-coefficient of the substance was determined to be log Pow 2.5 at 30 ºC. The determination was performed at 30 ºC (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.

Description of key information

The Log Pow of 1-phenylethyl acetate was determined to be 2.5, according to a study performed in line with OECD Guideline 117 and EU Method A.8. The determination was performed at 30 ºC (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 are 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):
2.5

Additional information

The key study (Givaudan, 1996) was conducted in line with GLP and standardised guidelines with a sufficient level of detail to assess the quality of the study. The study was performed to a good standard and was assigned a reliability score of 1 in accordance with Klimisch (1997).