Vinyl propionate

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

8 - 18 May 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

yes

Remarks:

see principles of method if other than guideline

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Regulation (EC) No 440/2008

Deviations:

yes

Remarks:

see principles of method if other than guideline

Principles of method if other than guideline:

The temperature in the equilibration phase ranged from 19.2 to 19.8 °C, with a mean of 19.5 °C and was thus out of the range of 20 ± 0.5 °C. This should have had no influence on the study, as the deviation was minor and the overall mean was in the range given by the guideline.

GLP compliance:

yes (incl. QA statement)

Remarks:

chemical analyses were performed non-GLP

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Vinyl propionate

EC Number:

203-293-5

EC Name:

Vinyl propionate

Cas Number:

105-38-4

Molecular formula:

C5H8O2

IUPAC Name:

ethenyl propanoate

impurity 1

Reference substance name:

Unknown impurities.

Molecular formula:

Not available as unknown impurities.

IUPAC Name:

Unknown impurities.

impurity 2

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

Test material form:

liquid: volatile

Details on test material:

Batch No: 57161235
Storage: Room temperature (approx. 20°C)

Results and discussion

Water solubility

Key result

Water solubility:

7.52 g/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

20 °C

pH:

>= 3.5 - <= 3.9

Details on results:

Preliminary test
This preliminary test indicated a water solubility of 1 to 10 g/L.

Main test
Since the results after one, two and three days showed increasing concentrations, the test was prolonged by using longer equilibration times, and the concentration was also determined after eight days.
The test vessels from all samplings were considered to obtain the final result, because no significant variation of the test item concentration was observed over the whole test duration.
The results are given in the table in the next section.
The individual results of the test vessels, which were deemed constant, were averaged and are given in mass per volume of solution. The test is satisfactory if the concentrations of at least the last 2 vessels do not differ by more than 15%.

Any other information on results incl. tables

GC-MS determinations:

Test vessel	pH	Analysed concentration A (g/L)	Analysed concentration B (g/L)	Analysed concentration C (g/L)	Mean (g/L)
No. 1	3.9	6.99	7.41	7.24	7.22
No. 2	3.8	7.27	7.46	8.16	7.63
No. 3	3.7	7.88	8.38	7.83	8.03
No. 4	3.5	7.15	7.02	7.44	7.20
			Overall Mean		7.52

The concentrations of the three vessels differed by 11% (validity criterion given by OECD is met).

Applicant's summary and conclusion

Conclusions:

The water solubility of Vinyl propionate (CAS 105-38-4) was determined according to TG OECD 105.
The water solubility of the test item at 20 °C was 7.52 g/L. The pH of the aqueous samples was 3.5 to 3.9.

Executive summary:

The water solubility of Vinyl propionate (CAS no. 105-38-4) was determined according to TG OECD 105.

Several test vessels containing ultra-pure water mixed with test item in great excess (initial amount of test item about 50 g per liter water), were incubated and stirred for different periods of time at about 30 °C (saturation phase), and then transferred to about 20 °C for 24 h (equilibration phase). Samples were taken from the middle of the solution by syringe, as undissolved test item swam on the surface of the test solution. The concentration of test item in the clear aqueous phase was determined with purge and trap GC-MS.

The measured concentrations were as follows:

7.22 g/L after one day at 30 °C, followed by 24 h at 20 °C, pH 3.9

7.63 g/L after two days at 30 °C, followed by 24 h at 20 °C, pH 3.8

8.03 g/L after three days at 30 °C, followed by 24 h at 20 °C, pH 3.7

7.20 g/L after eight days at 30 °C, followed by 24 h at 20 °C, pH 3.5

Since the results after one, two and three days showed increasing concentrations, the test was prolonged by using longer equilibration times, and the concentration was also determined after eight days.

The test vessels from all samplings were considered to obtain the final result, because no significant variation of the test item concentration was observed over the whole test duration.

The water solubility of Vinyl propionate, calculated as the mean of all four test vessels, is 7.52 g/L at a pH of 3.5 to 3.9 and ca. 20 °C.

The validity criterion was fulfilled.