Benzene, 1,1'-oxybis[methyl-, sulfonated, ammonium salts

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

12 - 28 July 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

adopted 27th July 1995

Deviations:

yes

Remarks:

see principles of method if other than guideline

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

(EC) No 440/2008

Deviations:

yes

Remarks:

see principles of method if other than guideline

Principles of method if other than guideline:

Due to the high water solubility of the test item, the present study was conducted according to a modified TG OECD 105 design. Instead of equilibrating large amounts of test item (about five times in excess) with water by stirring over several days and subsequently separating the test item from the saturated solution, water was added in a stepwise procedure to a defined amount of test item until complete dissolution occurred.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

>= 558 g/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

22 °C

pH:

8

Details on results:

Preliminary test
In the first preliminary test, 0.1 g of the test item were dissolved in 0.5 mL ultra-pure water, indicating a water solubility of 200 to 1000 g/L.
In the second preliminary test, where the ultra-pure water was added in 0.1 mL steps, 0.1 g of the test item were dissolved in 0.2 mL of ultra-pure water indicating a water solubility of 500 to 1000 g/L.

Main test
The water solubility of the test item, calculated as the mean of test vessels one, two and three, was determined to be 558 g/L.
The test is satisfactory, if the concentrations of the three vessels do not differ by more than 15%. Detailed results are given in the table in the next section.

HPLC determinations of the test item concentrations:

Test vessel	pH	Analysed concentration A (g/L)	Analysed concentration B (g/L)	Mean (g/L)
No. 1	8.0	559	602	581
No. 2	8.0	528	552	540
No. 4	8.0	558	546	552
			Overall mean:	558

The concentrations of the three vessels differed by 7% (validity criterion given by OECD is met).

Conclusions:

The water solubility of the test item Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (dried powder; CAS no. of the main component 75314-26-0) was determined according to a modified TG OECD 105 test design and revealed >=558 g/L at pH 8 and at 22°C.

Executive summary:

The water solubility of the test item Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (dried powder; CAS no. of the main component 75314-26-0) was determined according to a modified TG OECD 105 design.

To this end, increasing volumes of water were added in a stepwise procedure, to approximately 1 g of the test item at 22 ± 2 °C until complete dissolution, which occurred after addition of 1.0 mL of water. The concentration of test item was subsequently determined by HPLC with UV detection based on the sum of peaks found for this test item.

The determined water solubility of the test item Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (dried powder) is >= 558 g/L at pH 8 and at 22°C.

Description of key information

The water solubility of the test item Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (dried powder; CAS no. of the main component 75314-26-0) was determined according to a modified TG OECD 105 design. To this end, increasing volumes of water were added in a stepwise procedure, to approximately 1 g of the test item at 22 ± 2 °C until complete dissolution, which occurred after addition of 1.0 ml of water. The concentration of test item was subsequently determined by HPLC with UV detection based on the sum of peaks found for this test item. The determined water solubility of the test item Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (dried powder) is >= 558 g/l at pH 8 and at 22 °C.

Key value for chemical safety assessment

Water solubility:

558 g/L

at the temperature of:

22 °C

Additional information

The determined water solubility of the test item Benzene, 1,1’-oxybis(methyl-, sulfonated, ammonium salt (dried powder) is >= 558 g/l at pH 8 and at 22 °C.