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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

Constituent 1
Chemical structure
Reference substance name:
Ethylidynetrimethanol
EC Number:
201-063-9
EC Name:
Ethylidynetrimethanol
Cas Number:
77-85-0
Molecular formula:
C5H12O3
IUPAC Name:
ethylidynetrimethanol
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.