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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:
14 August 2017 to 17 November 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Version / remarks:
2008
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
65 600 mg/L
Conc. based on:
test mat.
Incubation duration:
3 d
Temp.:
20 °C
pH:
5
Remarks on result:
other: 65.6 ± 1.43 mg/mL
Details on results:
- pH of the samples varied in the range of 4.94 – 5.00.
- The concentration in the clear solvent phase of samples were analysed with the HPLC method. Measured concentrations are summarised in Table 2.
- From the highest visually acceptable solution, the concentration was determined to be 65.6 ± 1.43 mg/mL (95 % confidence interval) at 20 ± 0.5 °C using the shake-flask method.

Table 1: Preliminary test of the different ratio of mixtures by visual assessment

How many

times excess

of the estim.

solubility

Amount of

Visual Observations

Test Material (g)

Water (mL)

Shaking

Re-equilibration

For further analysis

at 30 °C

at 20 °C

1x

1.75

25

apparently a colourless solution

slight crystallisation

filterable, solution-like

2x

3.50

25

apparently a white, viscous suspension

cream-like suspension

untreatable

3x

5.25

25

apparently a white, viscous suspension

cream-like suspension

untreatable

4x

7.00

25

apparently a white, viscous suspension

cream-like suspension

untreatable

Table 2: Results of the determination of the test material concentrations

Measured

concentration

after 1 day

(mg/mL)

pH

Measured

concentration

after 2 days

(mg/mL)

pH

Measured

concentration

after 3 days

(mg/mL)

pH

Concentration

of the test

material* (mg/mL)

64.9

5.00

62.5

4.96

64.8

5.00

65.6 ± 1.43

64.6

4.98

65.1

4.96

65.5

4.94

68.1

4.96

66.3

4.95

68.5

4.96

Mean: 65.9

-

Mean: 64.6

-

Mean: 66.3

-

RSD% = 2.8 %

* From a solution made at the maximum visual concentration as a solution, at 1.75 g test material per 25 mL.

Conclusions:
Under the conditions of this study, the water solubility of the test material was determined to be 65.6 ± 1.43 mg/mL (95 % confidence interval) at 20 ± 0.5 °C.
Executive summary:

The water solubility of the test material was investigated in accordance with the standardised guidelines OECD 105 and EU Method A.6, under GLP conditions.

The test material: water ratio used for the main test was determined in a preliminary visual assessment. About 1.75 g of test material was measured into stoppered Erlenmeyer flasks (three parallel). After the addition of 25 mL ultrapure water, the flasks were agitated at 30 °C. After one and two days, three other similarly prepared flasks were agitated at 30 °C. One day later all of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The samples were filtered, then diluted before the analysis (two parallel dilutions and two injections each). The concentration of the samples was determined by HPLC.

Under the conditions of this study, the water solubility of the test material was determined to be 65.6 ± 1.43 mg/mL (95 % confidence interval) at 20 ± 0.5 °C.

Description of key information

Under the conditions of this study, the water solubility of the test material was determined to be 65.6 ± 1.43 mg/mL (95 % confidence interval) at 20 ± 0.5 °C.

Key value for chemical safety assessment

Water solubility:
65 600 mg/L
at the temperature of:
20 °C

Additional information

The water solubility of the test material was investigated in accordance with the standardised guidelines OECD 105 and EU Method A.6, under GLP conditions. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).

The test material: water ratio used for the main test was determined in a preliminary visual assessment. About 1.75 g of test material was measured into stoppered Erlenmeyer flasks (three parallel). After the addition of 25 mL ultrapure water, the flasks were agitated at 30 °C. After one and two days, three other similarly prepared flasks were agitated at 30 °C. One day later all of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The samples were filtered, then diluted before the analysis (two parallel dilutions and two injections each). The concentration of the samples was determined by HPLC.

Under the conditions of this study, the water solubility of the test material was determined to be 65.6 ± 1.43 mg/mL (95 % confidence interval) at 20 ± 0.5 °C.