α-D-glucose pentaacetate

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08 - 18 May 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

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

1995

Deviations:

yes

Remarks:

see principles of method if other than guideline

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

Regulation (EC) No 440/2008

Deviations:

yes

Remarks:

see principles of method if other than guideline

Principles of method if other than guideline:

The temperature in the equilibration phase ranged from 19.2 to 19.7 °C, with a mean of 19.5 °C and was thus out of the range of 20 ± 0.5 °C. This should have had no influence on the study, as the deviation was minor and the overall mean was in the range given by the guideline.

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

α-D-glucose pentaacetate

EC Number:

210-073-2

EC Name:

α-D-glucose pentaacetate

Cas Number:

604-68-2

Molecular formula:

C16H22O11

IUPAC Name:

1,2,3,4,6-penta-O-acetyl-alpha-D-glucopyranose

impurity 1

Reference substance name:

β-D-glucose pentaacetate

EC Number:

210-074-8

EC Name:

β-D-glucose pentaacetate

Cas Number:

604-69-3

Molecular formula:

C16H22O11

IUPAC Name:

1,2,3,4,6-penta-O-acetyl-beta-D-glucopyranose

impurity 2

Reference substance name:

Water

EC Number:

231-791-2

EC Name:

Water

Cas Number:

7732-18-5

Molecular formula:

H2O

IUPAC Name:

Oxidane

impurity 3

Reference substance name:

Unknown impurities.

Molecular formula:

Not available as unknown impurities.

IUPAC Name:

Unknown impurities.

Test material form:

solid: crystalline

Remarks:

Crystalline powder

Details on test material:

Batch No: 14126200
Storage: at room temperature, protected from light

Results and discussion

Water solubility

Key result

Water solubility:

1.5 g/L

Conc. based on:

test mat. (dissolved fraction)

Incubation duration:

24 h

Temp.:

20 °C

pH:

>= 4.3 - <= 4.6

Details on results:

The preliminary test indicated a water solubility of nearly 1 g/L, as only a few test item particles remained undissolved after addition of 100 mL water to about 100 mg of test item.

Main test
The results are given in the table in the next section. The individual results of the test vessels, which were deemed constant, were averaged and are given in mass per volume of solution. The test is satisfactory if the concentrations of at least the last 2 vessels do not differ by more than 15%.

Any other information on results incl. tables

HPLC determinations:

Test vessel	Days at 30°C	Hours at 20°C	pH	Analysed concentration A (g/L)	Analysed concentration B (g/L)	Analysed concentration C (g/L)	Mean (g/L)
No. 1	1	24	4.6	1.53	1.50	1.52	1.52
No. 2	2	24	4.6	1.52	1.46	1.50	1.49
No. 3	3	24	4.3	1.51	1.49	1.49	1.50
						Overall Mean	1.50

The concentrations of the three vessels differed by 2% (validity criterion given by OECD is met).

Applicant's summary and conclusion

Conclusions:

The water solubility of alpha-D-glucose pentaacetate (CAS no. 604-68-2) was determined according to TG OECD 105.
The water solubility of the test item at 20°C was 1.5 g/L. The pH of the aqueous samples was 4.3-4.6.

Executive summary:

The water solubility of alpha-D-glucose pentaacetate (CAS no. 604-68-2) was determined according to TG OECD 105. Several test vessels containing ultra-pure water mixed with test item in great excess (initial amount of test item about 5 g per liter water), were incubated and stirred for different periods of time at about 30 °C (saturation phase), and then transferred to ca. 20 °C for 24 h (equilibration phase). Undissolved test item was subsequently separated by centrifugation. The concentration of test item in the clear aqueous phase was determined with HPLC.

The concentrations determined (mean of three measurements) were as follows:

1.52 g/L after one day at 30 °C, followed by 24 h at 20 °C, pH 4.6

1.49 g/L after two days at 30 °C, followed by 24 h at 20 °C, pH 4.6

1.50 g/L after three days at 30 °C, followed by 24 h at 20 °C, pH 4.3

No significant variation of the concentrations and pH values was observed in the three respective test vessels after one, two and three days of incubation at 30 °C (followed by 24 h equilibration at ca. 20 °C).

The water solubility of alpha-D-glucose pentaacetate, calculated as the mean of all three test vessels, is 1.50 g/L at a pH of 4.3 to 4.6 and ca. 20 °C.

The validity criterion was fulfilled.