Diallyl 2,2'-oxydiethyl dicarbonate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

07 SEP - 26 OCT 2009

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Remarks:

Harlan Laboratories Ltd., Derbyshire, UK

Type of method:

flask method

Water solubility:

2.36 g/L

Temp.:

20 °C

pH:

>= 7 - <= 7.5

Details on results:

A very minor increase in test material concentration was observed from sample 1 to sample 3; however the range in concentrations (approximately 4%) comfortably satisfied the guideline requirement of less than 15% variance for the flask method. Therefore the requirement to prepare additional samples and apply extended initial equilibration times beyond those specified in the guideline was not considered necessary.

1) Calculation

The mean peak area of each standard was corrected to a nominal concentration of 7.50 mg/l and the mean value taken.

The sample solution concentration (g/l) was calculated using the following equation:

c = [p (sample) / p (standard)] * c (standard) * D * 1/1000

where:

c = sample concentration (g/l)

p (sample) = mean peak area of sample solution

p (standard) = mean peak area of standard solution, corrected to nominal standard concentration

c (standard) = nominal standard concentration (7.50 mg/l)

D = sample dilution factor (250)

2) Results

a) Preliminary test

The preliminary estimate of water solubility was 2.23 g/l.

b) Definitive test

The mean peak areas relating to the standard and sample solutions are shown in the following table:

Solution	Mean Peak Area
Matrix blank	none detected
Standard 7.52 mg/l	7.029 x 10e4
Standard 7.70 mg/l	7.094 x 10e4
Sample 1A	8.618 x 10e4
Sample 1B	8.588 x 10e4
Standard 7.52 mg/l	6.732 x 10e4
Standard 7.70 mg/l	6.805 x 10e4
Sample 2A	8.414 x 10e4
Sample 2B	8.271 x 10e4
Standard 7.52 mg/l	6.434 x 10e4
Standard 7.70 mg/l	6.516 x 10e4
Sample 3A	8.277 x 10e4
Sample 3B	8.132 x 10e4

The concentration (g/l) of test material in the sample solutions is shown in the following table:

Sample Number	Time Shaken at ~30°C (hours)	Time Equilibrated at 20°C (hours)	Concentration (g/I)	Solution pH
1	24	24	2.32	7.5
2	48	24	2.35	7.3
3	72	24	2.41	7.0

c) Overall result

Solubility in water: 2.36 g/l at 20.0 ± 0.5°C (arithmetic mean of three determinations; range 2.32 to 2.41 g/l).

3) Validation

The linearity of the detector response with respect to concentration was assessed over the nominal concentration range of 0 to 15.0 mg/l. This was satisfactory with a correlation coefficient of 0.999 being obtained.

Conclusions:

Interpretation of results: soluble (1000-10000 mg/L)
water solubilty (at 20.0±0.5°C and pH 7.0 - 7.5): 2.36g/L

Executive summary:

The determination of the water solubility was carried out using the flask method, EU Method A.6 under GLP conditions.

The concentration of test material in the sample solutions was determined by high performance liquid chromatography and mass spectroscopy (HPLC-MS).

The water solubility of the test material has been determined to be 2.36 g/l of solution at 20.0±0.5°C (arithmetic mean of three determinations at pH 7.0 - 7.5).

Description of key information

The determination of the water solubility was carried out using the flask method, EU Method A.6 under GLP conditions.

The concentration of test material in the sample solutions was determined by high performance liquid chromatography and mass spectroscopy (HPLC-MS).

The water solubility of the test material has been determined to be 2.36 g/l of solution at 20.0±0.5°C(arithmetic mean of three determinations at pH 7.0 - 7.5).

Key value for chemical safety assessment

Water solubility:

2.36 g/L

at the temperature of:

20 °C