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Physical & Chemical properties

Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
August 29, 2008 - November 10, 2008
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
The flask method was not applicaple due to emulsion forming of the test item, therefore the column elution method was used for the performance of the main test.
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Principles of method if other than guideline:
The water solubility was estimated using the column elution method. The saturation mass concentration was determined using a HPLC method.
A defined amount of carrier material (silica gel beads, 0.2-0.5 mm) was weighed out and transferred into a round bottom flask. 162.0 g of the test item was dissolved in 50 mL acetone. This solution was added to the carrier material and the solvent was evaporated in a rotary evaporator (bath temperature 40 °C). the loaded carrier material was stored at room temperature for 3 days protected from light. The dry loaded carrier material was poured in the column which was filled with pure water. The system was equilibrated for approximately 2 hours with pure water.
The column was connected to a pump and column flow was adjusted to a rate of approximately 10 bed volumes per hour (0.4 mL/min). The first 20 mL were discarded to remove water soluble impurities. Following this, the apparatus was allowed to run until equilibration was established, as defined by 6 successive samples whose concentrations did not differ by more than ± 30 % in a random fashion. These samples were separated from each other by time intervals of 1 hour. A second experiment was performed at the same temperature and with the half flow rate (0.2 mL/min).
GLP compliance:
yes (incl. certificate)
Type of method:
column elution method
Specific details on test material used for the study:
Batch No. 512051
CoA: Dr. Straetmans Chemische Produkte GmbH, June 16, 2008
Colourless liquid
Expiry date: December 2008
Key result
Water solubility:
ca. 108.6 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
>= 6.6 - <= 7.1
Details on results:
The identity of the test item was confirmed by comparison of the retention time with the retention time of a standard solution. The chromatogram of the test item showed several peaks. The main peak was used for data evaluation.
The linearity of the analytical method was proved in the concentration range from 10 to 100 mg test item/L. The regression coefficient was determined to be 0.9998.

Time [h]

Concentration found [mg/L]

Dilution factor

Concentration calculated [mg/L]

Measured pH after incubation

Flow rate 0.4 mL/min

0

55.615

2

111.231

6.6

1

53.401

2

106.802

6.8

2

50.447

2

100.894

6.9

3

52.090

2

104.181

6.9

4

50.121

2

100.242

6.9

5

53.222

2

106.443

7.1

Flow rate 0.2 mL/min

0

59.130

2

118.260

6.9

1

56.010

2

112.043

6.9

2

55.491

2

110.983

7.0

3

57.147

2

114.294

7.0

4

55.143

2

110.286

7.1

5

53.979

2

107.958

7.1

Conclusions:
The water solubility of Dermosoft DGMC, reaction mass of 3-(2,3-dihydroxypropoxy)-2-hydroxypropyl decanoate and 1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl decanoate was determined to be 108.6 mg/L at 20 °C.

Executive summary:

A GLP study was done in order to estimate the solubility of the test item in water which is specified by the saturation mass concentration in water at a specified temperature. The test was done according to OECD Guideline 105 and EU method A.6. The column elution method was applied instead of the shake flask method due to emulsification of the test item.

The water solubility of Dermosoft DGMC, reaction mass of 3-(2,3-dihydroxypropoxy)-2-hydroxypropyl decanoate and 1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl decanoate was determined to be 108.6 mg/L at 20 °C.

Description of key information

The water solubility of Dermosoft DGMC, reaction mass of 3-(2,3-dihydroxypropoxy)-2-hydroxypropyl decanoate and 1-(2,3-dihydroxypropoxy)-3-hydroxypropan-2-yl decanoate was determined to be 108.6 mg/L at 20 °C.

Key value for chemical safety assessment

Water solubility:
108.6 mg/L
at the temperature of:
20 °C

Additional information