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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
March 6, 2017 - March 14, 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
ca. 1.424 g/L
Conc. based on:
test mat.
Incubation duration:
>= 1 - <= 3 d
Temp.:
20.1 °C
pH:
>= 6.6 - <= 6.65

Determination of solubility in water at one pH value

In the test, the following flasks were used:

Flasks 1 (samples 1 & 2) – for one day at 30ºC;

Flasks 2 (samples 3 & 4) – for two days at 30ºC;

Flask 3 (samples 5 & 6) – for three days at 30ºC.

The individual results from each of three flasks, which should not differ by more than 15%, are averaged.If the concentrations measured in at least two last samples do not differ by more than 15% the test is satisfactory.

Water solubility is expressed in mass of solute per volume of solution.

Table No.1: Calibration solution

Day

Weight

[mg]

Dilution

[mL]

Cw

[mg/mL]

Peak area

Average

peak area

Aw

f

Average

 f

1

27.05

25-1-25-2-10

0.008137

459244

461808

460526

0.000018

0.0000177

 

27.05

25-1-25-3-10

0.012205

691885

690312

691098.5

0.000018

2

27.05

 

25-1-25-2-10

0.008137

460412

459798

460105

0.000018

0.0000177

 

27.05

25-1-25-3-10

0.012205

692193

690565

691379

0.000018

3

27.05

25-1-25-2-10

0.008137

 

 

468612

467501

468056.5

468612

0.0000173

 

27.05

25-1-25-3-10

0.012205

707369

706459

706914

707369

 

Table No.2 : Study solution in water

Sample

day/ flask

Weight

of the sample

[mg]

Dilution

[mL]

Cp

[mg/mL]

Peak area

Average peak area

Ap

X

[g/kg]

1

1

991.85

10-2-25

7.935

639750

636922

638336

1.421

2

995.70

7.966

630102

633965

632033.5

1.402

2

3

1014.55

10-2-25

8.116

653252

652463

652857.5

1.421

4

1010.05

8.080

653106

654046

653576

1.429

3

5

1008.95

10-2-25

8.072

652783

651717

652250

1.427

6

1003.00

8.024

655766

652294

654030

1.440

Table No.3 : Results of the preliminary test

0.1g in x mL of solution

0.1

0.5

1

2

10

50

Soluble (+/-)

-

-

-

-

-

+

Approximate solubility, g/L

> 1000

1000 to 200

200 to 100

100 to 50

50 to 10

10 to 2

x – water of pH 5.7 

Table No.4: Result of Test item solubility in water:

Mixing time at 30 ºC [days, flasks]

1

2

3

Samples

1

2

3

4

5

6

Temperature, ºC

20.1

20.1

20.0

pH

6.60

6.61

6.65

Concentration of test item, g/kg

1.421

1.402

1.421

1.429

1.427

1.440

Average concentration of test item,g/kg

1.412

1.425

1.434

Average concentration of test item, g/kg

1.424

Conclusions:
The solubility of test item in water was determinated to be 1.424 g/L.

Executive summary:

In accordance with OECD TG 105 and GLP study, determination of solubility in water at one pH value was determined by flask method. The preliminary test was performed to estimate the quantity of test item and about five times the above quantity of determinated in the preliminary test was weighted into three glass vessels of 100 mL and distilled water was added too.Three closed vessels were incubated at 30ºC with magnetic stirrers. After one day, one of the flask was equilibrated for 24 h at the test temperature (20 ± 0.5)ºC with occasional shaking. The other two flasks were treated similarly after initial equilibration at 30ºC for two and three days, respectively. The analysis was determined by a HPLC method. In conclusion, the solubility of test item in water was determinated to be 1.424 g/L.

Description of key information

Key study: OECD guideline 105 and GLP study. The solubility of test item in water is 1.424 g/L

Key value for chemical safety assessment

Water solubility:
1.424 g/L
at the temperature of:
20.1 °C

Additional information

Key study: OECD TG 105 and GLP study. Determination of solubility in water at one pH value was determined by flask method. The preliminary test was performed to estimate the quantity of test item and about five times the above quantity of determinated in the preliminary test was weighted into three glass vessels of 100 mL and distilled water was added too.Three closed vessels were incubated at 30ºC with magnetic stirrers from 1 to 3 days. The analysis was determined by a HPLC method.Test was satisfactory because two last test did not differ by more than 15% and in conclusion, the solubility of test item in water was determinated to be 1.424 g/L.