Ethylidynetrimethanol

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

Experimental phase started 16th June 2016 and completed 15th Jan 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

Qualifier:

equivalent or similar to guideline

Guideline:

EU Method A.6 (Water Solubility)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

other: Visual

Test material

Test material information

Constituent 1

Reference substance name:

Ethylidynetrimethanol

EC Number:

201-063-9

EC Name:

Ethylidynetrimethanol

Cas Number:

77-85-0

Molecular formula:

C5H12O3

IUPAC Name:

2-(hydroxymethyl)-2-methylpropane-1,3-diol

Test material form:

solid: granular

Results and discussion

Water solubility

Key result

Water solubility:

> 35 - < 40.1 vol%

Conc. based on:

test mat.

Temp.:

20 °C

pH:

>= 4 - <= 4.6

Any other information on results incl. tables

Resu

 Preliminary Test

The sample concentrations, observations and solution pH’s are shown in the following table:

Concentration (% w/w)	Observations
10.0	Clear colorless liquid, no excess test item visible. Solution demonstrated Tyndall beam effect
20.0	Clear colorless liquid, no excess test item visible. Solution demonstrated Tyndall beam effect
29.9	Clear colorless liquid, no excess test item visible. Solution demonstrated Tyndall beam effect
39.9	Clear colorless liquid, no excess test item visible. Solution demonstrated Tyndall beam effect
49.9	Clear colorless liquid, no excess test item visible. Solution demonstrated Tyndall beam effect
59.9	Clear colorless liquid, no excess test item visible. Solution demonstrated Tyndall beam effect
70.1	Off-white, opaque, crystalline solid. No excess liquid visible.
79.9	Off-white, opaque, crystalline solid. No excess liquid visible.
90.1	Wetted white powder with clumps. No excess liquid visible.

Preliminaryresult: Water solubility in the range59.9to70.1%w/w at 20 ± 0.5 °C

Definitive Test

The sample concentrations, observations and solution pH’s are shown in the following tables:

Sample	Concentration (% w/w)	Observations	pH
1	60.0	Test mixture solidified.	N/A
2	62.0	Test mixture solidified.	N/A
3	64.0	Test mixture solidified.	N/A
4	66.0	Test mixture solidified.	N/A
5	67.9	Test mixture solidified.	N/A
6	70.0	Test mixture solidified.	N/A

 

Sample	Concentration (% w/w)	Observations	pH
7	20.0	Clear colorless solution. No excess test item visible	4.6
8	25.0	Clear colorless solution. No excess test item visible	4.4
9	30.0	Clear colorless solution. No excess test item visible	4.3
10	35.0	Clear colorless solution. No excess test item visible	4.3
11	40.1	Excess test item present in crystalline form.	4.1
12	45.0	Excess test item present in crystalline form.	4.0
13	50.0	Excess test item present as “wetted” test item.	4.0
14	54.9	Excess test item present in crystalline form.	N/A
15	59.9	Excess test item present in crystalline form.	N/A

Result: Water solubility in the range 35.0 to 40.1% w/w at 20 ± 0.5 °C.

Applicant's summary and conclusion

Conclusions:

The standard A6 Method was not applicable to this test item due to the high indeterminable saturation levels produced. It was therefore not possible to prepare samples at five times the saturation level as recommended in the guideline. Therefore the water solubility was determined based on visual inspection.
The preliminary test indicated that the water solubility was in the range of 60 to 70 % w/w. The main test was therefore initially performed in this range; however, the test solutions were found to crystallize forming solid mixtures. The concentration range was then reduced, and although crystallization still was observed, this only occurred in mixtures solutions with concentrations of 40 % w/w or greater.

Conclusion
The water solubility of the test item was determined to be in the range of 35.0 to 40.1 % w/w at 20 ± 0.5 °C.