1,2-Ethandiylbis(oxy-2,1-ethandiyl)-dimethansulfonat

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

7-11 February 2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2022

Report date:

2022

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Commission Regulation (EC) No 440/2008 of 30 May 2008 laying down test methods pursuant
to Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the
Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH),

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

July 1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

2-[2-(2-hydroxyethoxy)ethoxy]ethanol,methanesulfonic acid

Cas Number:

80322-82-3

Molecular formula:

C8H18O8S2

IUPAC Name:

2-[2-(2-hydroxyethoxy)ethoxy]ethanol,methanesulfonic acid

impurity 1

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

impurity 2

Reference substance name:

1,2-Ethandiylbis(oxy-2,1-ethandiyl)-monomethanesulfonat

IUPAC Name:

1,2-Ethandiylbis(oxy-2,1-ethandiyl)-monomethanesulfonat

Test material form:

liquid

Details on test material:

Appearance: Dark yellow liquid
Batch No.: 01110008
Storage: -5 – 40 °C, container tightly closed, protected from light

Specific details on test material used for the study:

Batch no.: 01110008
Test item storage: 2–8 °C, protected from light

Results and discussion

Water solubility

Key result

Water solubility:

69.3 g/L

Conc. based on:

test mat. (dissolved fraction)

Temp.:

20 °C

pH:

>= 0 - <= 1

Details on results:

Preliminary test:
This preliminary test indicated a water solubility of 50 to 100 g/l, as approximately 0.1 g test item could be dissolved in 2 ml ultra-pure water.
Main Test:
The water solubility of Triethylene glycol dimethanesulfonate was determined according to the OECD guideline 105. The data obtained are summarised in the table below.
For the calculation of the final result, only the two respective test vessels after two and three days of
incubation at 30 °C (followed by 24 hours equilibration at 20 °C) were considered, as they showed
no relevant variation of the determined concentrations.
The water solubility of Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) salt at 20 °C, calculated as the mean of the last two test vessels, is 69.3 g/l.
The variation determined in this study was 1.8% and thus meets the requirement of the OECD guideline 105 as given above (variation <=15%).

Any other information on results incl. tables

HPLC determinations:

Test vessel	Incubation time at 30 °C [d]	Equilibration time at 20 °C [h]	pH	Determined concentrations [g/l]
				Sample A	Sample B	Sample C	Mean	considered for calculation
1	1	24	0-1	73.4	72.6	73.6	73.2	no
2	2	24	0-1	69.3	69.4	67.3	68.7	yes
3	3	24	0-1	70.0	69.0	70.7	69.9	yes
				overal mean (g/l)			69.3
				Variation [%]:			1.8

Applicant's summary and conclusion

Conclusions:

The water solubility of Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) was determined according to the OECD guideline 105. The determined water solubility of the test item, calculated as the mean of the last two test vessels, is 69.3 g/l at at 20 °C and pH of 0-1.

Executive summary:

The water solubility of Triethylene glycol dimethanesulfonate (CAS no. 80322-82-3) was determined according to the OECD guideline 105.
Several test vessels containing ultra-pure water mixed with test item in great excess (initial amount of test item about 500 g per liter water), were incubated and stirred for different periods of time at 30 °C (saturation phase), and then transferred to 20 °C for 24 hours (equilibration phase). Undissolved test item was subsequently separated by centrifugation. The concentration of test item in the clear aqueous phase was determined with HPLC with evaporative light scattering detection.

The determined concentrations were as follows:
73.2 g/l after one day at 30 °C, followed by 24 hours at 20 °C, pH 0-1
68.7 g/l after two days at 30 °C, followed by 24 hours at 20 °C, pH 0-1
69.9 g/l after three days at 30 °C, followed by 24 hours at 20 °C, pH 0-1
For the calculation of the final result, only the two respective test vessels after two and three days of incubation at 30 °C (followed by 24 hours equilibration at 20 °C) were considered, as they showed no relevant variation of the determined concentrations.
The water solubility of Triethylene glycol dimethanesulfonate at 20 °C and pH 0-1, calculated as the mean of the last two test vessels, is 69.3 g/l.
The validity criterion was fulfilled.