1-phenylethyl acetate

Partition coefficient

Link to relevant study record(s)

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).