N, N-bis-(2-hydroxyethyl) dimethyl ammonium methane sulfonate

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Study initiation: 2021-02-02
Experimental completion: 2021-03-01

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

European Commission Regulation (EC) No. 440/2008 and No. 260/2014,

Deviations:

yes

Remarks:

Due to the very high water solubility of the test item, a miscibility test was judged to be more meaningful than the otherwise indicated flask method.

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

yes

Remarks:

Due to the very high water solubility of the test item, a miscibility test was judged to be more meaningful than the otherwise indicated flask method.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Remarks:

Due to the very high water solubility of the test item, a miscibility test was performed.

Key result

Water solubility:

>= 1 123.2 - < 1 283.7 g/L

Conc. based on:

test mat.

Remarks:

mass ratio test item : water = 9:1 as the basis of the lower value; the density of the test item as the basis of the higher limit value - see section "Overall remarks" for details.

Loading of aqueous phase:

9 other: g/g water

Incubation duration:

ca. 10 min

Temp.:

20 °C

pH:

ca. 2.1

Remarks on result:

completely miscible

Remarks:

The miscibility test was performed at 25 °C, the density as basis for the upper limit value was determined at 20 °C. Due to the full miscibility of the test item, the solubility at 20 °C is not expected to differ compared to 25 °C.

Water solubility:

0.111 other: g/g

Conc. based on:

test mat.

Loading of aqueous phase:

0.111 other: g/g

Incubation duration:

ca. 10 min

Temp.:

25 °C

pH:

3.6

Remarks on result:

completely miscible

Remarks:

Miscibility test, ratio test item : water= 1:9

Water solubility:

1 other: g/g water

Conc. based on:

test mat.

Loading of aqueous phase:

1 other: g/g

Incubation duration:

ca. 10 min

Temp.:

25 °C

pH:

2.8

Remarks on result:

completely miscible

Remarks:

Miscibility test, ratio test item : water= 1:1

Key result

Water solubility:

9 other: g/g water

Conc. based on:

test mat.

Loading of aqueous phase:

9 other: g/g water

Incubation duration:

ca. 10 min

Temp.:

25 °C

pH:

2.1

Remarks on result:

completely miscible

Remarks:

Miscibility test, ratio test item : water= 9:1

Details on results:

See section "Any other information on results incl. tables."

Preliminary test:
In a stepwise procedure, increasing volumes of demineralized water were added at room temperature to a defined amount of the test item. After each addition of an amount of water, the mixture was treated with ultrasound for 10 minutes and visually checked for any undissolved particles.
The preliminary test showed that the test item was already dissolved after the first addition of water. The water solubility of the test item was > 965 g/l.
For this reason, instead of the main test, a miscibility test was performed. Within the miscibility test, it was investigated if the test item was miscible with demineralized water in different ratios.

Miscibility test:
The test item MAT-144 was miscible with water at room temperature (T = 25.0 °C) in all tested ratios (1:1, 1:9, 9:1):

Experiment	A	B	C
Amount of test item / g	1.0	5.0	9.0
Amount of demin. water / g	9.0	5.0	1.0
Ratio	1:9	1:1	9:1
pH value	3.6	2.8	2.1
Appearance of the mixture	dissolved	dissolved	dissolved

 

 

Conclusions:

Water solubility (OECD 105; A.6): miscible with water at room temperature (T = 25.0 °C) in all tested ratios (1:1, 1:9, 9:1).

Executive summary:

The water solubility of the test item was determined in a reliable and valid study performed compliant with GLP according to OECD 105 (1995) as well as EU method A.6
Within this water solubility study, complete miscibility of the test item MAT-144 with water at room temperature (T = 25.0 °C) was confirmed from the tested ratios test item:water of 1:1, 1:9, and 9:1. The highest tested mass ratio of test item to water 9:1 is equivalent with a water solubility of 1123.2 g/L (calculated from the mass ratio and volume fraction under consideration of the density of the test item). Accordingly, the water solubility of the test item was determined to be ≥ 1123.2 g/L.
Assuming the concentration of the test item is continually increased in water with unlimited miscibility, the volume of 1 L finally will contain nearly solely test item whose density was determined to 1283.7 g/L in Siemens (2021; study number PS20200294-2). Therefore, the theoretical upper water solubility limit of the test item by approximation will approach the value of the density of the test item (1283.7 g/L). The miscibility test was performed at 25 °C, the density as basis for the upper limit value was determined at 20 °C. Due to the full miscibility of the test item, the solubility at 20 °C is not expected to differ compared to 25 °C.

Description of key information

Water solubility (OECD 105; A.6): miscible with water at room temperature (T = 25.0 °C) in all tested ratios (1:1, 1:9, 9:1).

Key value for chemical safety assessment

Water solubility:

1 283.7 g/L

at the temperature of:

20 °C

Additional information

The water solubility of the test item was determined in a reliable and valid study performed compliant with GLP according to OECD 105 (1995) as well as EU method A.6
Within this water solubility study, complete miscibility of the test item MAT-144 with water at room temperature (T = 25.0 °C) was confirmed from the tested ratios test item:water of 1:1, 1:9, and 9:1. The highest tested mass ratio of test item to water 9:1 is equivalent with a water solubility of 1123.2 g/L (calculated from the mass ratio and volume fraction under consideration of the density of the test item). Accordingly, the water solubility of the test item was determined to be ≥ 1123.2 g/L.
Assuming the concentration of the test item is continually increased in water with unlimited miscibility, the volume of 1 L finally will contain nearly solely test item whose density was determined to 1283.7 g/L in Siemens (2021; study number PS20200294-2). Therefore, the theoretical upper water solubility limit of the test item by approximation will approach the value of the density of the test item (1283.7 g/L). The miscibility test was performed at 25 °C, the density as basis for the upper limit value was determined at 20 °C. Due to the full miscibility of the test item, the solubility at 20 °C is not expected to differ compared to 25 °C. The key value cannot be given with relational operator. Therefore, the upper limit value of 1283.7 g/L is given as the key value.