Benzyl propionate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

from 2015-04-21 to 2015-06-05

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

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

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Givaudan Suisse SA Ecotoxicological Laboratory 5, ch, de la Parfumerie CH-1214 Vernier/Geneva Switzerland

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.4

Temp.:

35 °C

pH:

7

Remarks on result:

other: The determination was performed at 35 °C, but the values obtained can be considered to represent the values at ambient temperature. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Details on results:

Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor.

Reference substances	log Pow	tR1	tR2	tRm	k	Log k
Thiourea		2.110	2.111	2.11
Benzyl alcohol	1.1	2.551	2.551	2.55	0.209	-0.680
Benzene	2.1	3.759	3.757	3.76	0.781	-0.108
Toluene	2.7	4.722	4.719	4.72	1.237	0.092
1,4-Dichlorbenzene	3.4	5.859	5.854	5.86	1.775	0.249
Cumene	3.7	7.137	7.129	7.13	2.380	0.377
1,2,4-Trichlorobenzene	4.2	8.904	8.8393	8.90	3.216	0.507
Test item	2.4	3.782	3.783	3.783	0.792	-0.1011

 

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

 

Correlation coefficient:

r2 = 0.9828

Slope: a = 2.6218

Y-axis intercept: b = 2.6756

Conclusions:

The partition coefficient log Pow of the test substance was determined to be log Pow = 2.4 at 35 °C.

Executive summary:

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance. Using the HPLC method partition coefficient Pow was determined to be 2.4 at 35 °C. The determination was performed at 35 °C, but the values obtained can be considered to represent the values at ambient temperature. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.

Description of key information

The partition coefficient log Pow of the test substance was determined to be log Pow = 2.4 at 35 °C.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.4

at the temperature of:

35 °C

Additional information

A study was conducted in accordance with OECD TG 117 and Regulation (EC) No 440/2008 method A.8 to determine the partition coefficient of the test substance. Using the HPLC method partition coefficient Pow was determined to be 2.4 at 35 °C. The determination was performed at 35 °C, but the values obtained can be considered to represent the values at ambient temperature. Partition coefficients of the test and reference substances are assumed to vary with temperature in the same way.