Reaction mass of oxydiethylene dibenzoate and oxydipropyl dibenzoate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2010

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Reason / purpose for cross-reference:

reference to same study

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient)

Version / remarks:

HPLC Method

Deviations:

no

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:

>= 2.79 - <= 3.96

Temp.:

30 °C

pH:

7

Results:

Prelimainary estimate: The Log10PoW was calculated to be 3.04 (DEGDB) and 3.88* (DPGDB).

* KOWWIN can not calculate specific values for different optical isomers.

 

Definitive test: Calibration: The retention times of the deadtime and retention times, capacity factors (k) and Log₁₀P_OW values for the reference standards are shown in the following tables:

 

Table 3:  

Dead time	Retention time (min)		Mean retention time (min)
	Injection 1	Injection 2
Thiourea	2.314	2.314	2.314

 

Table 4:

 

Standard	Retention time (min)		Mean retention time (min)	Capacity factor (k)	Log10K	Log10KOw
	Injection 1	Injection 2
Benzene	5.263	5.268	6.266	1.28	0.106	2.1
Toulene	7.38	7.388	7.384	2.19	0.341	2.7
Naphthalene	9.353	9.364	9.359	3.04	0.483	3.6
Phenanthrene	19.447	19.462	19.455	7.41	0.87	4.5
Triphenylamine	46.411	46.403	46.407	19.1	1.28	5.7
DDT	65.599	65.594	65.597	27.3	1.44	6.5

 

Partition coefficient of Sample:

The retention times, capacity factors and Log₁₀Pow values determined for the sample are shown in the following table:

Table 4:

Peak number	Injection	Retention time (min)	Capacity factor (k)	Log10K	Log10Kow	Mean Log10Kow	Percentage Area Normalisation (%)
1	1	3.152	0.362	-0.441	0.33	0.329	1.5
	2	3.151	0.362	-0.442	0.328
2	1	4.224	0.825	-8.33X10^-2	1.49	1.48	2.6
	2	4.224	0.824	-8.40X10^-2	1.48
3	1	7.181	2.1	0.323	2.8	2.79	53.9
	2	7.168	2.1	0.322	2.79
4	1	10.739	3.64	0.561	3.57	3.56	0.7
	2	10.715	3.63	0.56	3.56
5	1	11.602	4.01	0.604	3.7	3.7	2.4
	2	11.57	4	0.602	3.7
6	1	13.491	4.83	0.684	3.96	3.96	38.9
	2	13.449	4.81	0.682	3.96

 

The partition coefficient result was taken from peak numbers 3 to 6 (see below calibration curve in graph) as these represented the main components of the test ietm and 95.9% by percentage area normalisation.

 

Hence, Mean log₁₀Pow range: 2.79 to 3.96

Partition coefficient range: 622 to 9.09 X 10³

Conclusions:

The partition coefficient of the Reaction mass of 2-[2-(benzoyloxy)ethoxy]ethyl benzoate and Oxydipropyl dibenzoate has been found to be 2.79 - 3.96 at 30 °C.

Executive summary:

The partition coefficient of the Reaction mass of 2-[2-(benzoyloxy)ethoxy]ethyl benzoate and Oxydipropyl dibenzoate has been found to be 2.79 - 3.96 at 30 °C.

Description of key information

EU Method A.8 (Partition Coefficient) – HPLC Method(Fox J.M. and White D.F., 2010)

Key value for chemical safety assessment

Log Kow (Log Pow):

3.96

at the temperature of:

30 °C

Additional information

The partition coefficient of the Reaction mass of 2-[2-(benzoyloxy)ethoxy]ethyl benzoate and Oxydipropyl dibenzoate has been found to be 2.79 - 3.96 at30 °C.