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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:
From May 7th, 2018 to May 16th, 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
0.42 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
>= 5.73 - <= 6.23

The solubility of the test item in water is 0.42 g/kg. The density of this solution is about 1kg/L (about water density). After recalculation:

The solubility of the test item at pH 5.73 – 6.23 in water is 0.42 g/L

Table 1. Results of the test item solubility in water

Mixing time at 30 ºC [days, flasks]

1

2

3

Samples

1

2

3

4

5

6

Temperature, ºC

20.5

20.0

20.0

pH

6.23

6.04

5.73

Concentration of the test item, g/kg

0.3978

0.403

0.4257

0.4338

0.428

0.4326

Average concentration of the test item, g/kg

0.4004

0.4298

0.4303

Average concentration test item, g/kg

0.4202

Table 2. Results of the preliminary test

0.1g in x mL of solution

0.1

0.5

1

2

10

100

> 100

Soluble (+/-)

-

-

-

-

-

-

+

Approximate solubility, g/L

> 1000

1000 to

200

200 to 100

100 to 50

50 to 10

10 to 1

< 1

Table 3. Calibration solution

 

Day

Weight [mg]

Dilution [mL]

Cw [mg/mL]

 Peak area

Average peak area Aw

 f

Average f

 

1

10.30

25-1-25

0.01638

298663

297671

298167.0

0.00005494

0.00005512

25-1.2-25

0.01966

355254

355734

355494.0

0.00005530

 

2

10.30

25-1-25

0.01638

306250

302511

304380.5

0.00005543

0.00005546

25-1.2-25

0.01966

365572

364089

364830.5

0.00005550

 

3

10.30

25-1-25

0.01638

313667

310765

312216.0

0.00005247

0.00005274

25-1.2-25

0.01966

369106

372455

370780.5

0.00005302

Table 4. 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

1006.95

10-2.5-5

50.3475

365262

361561

363411.5

0.3978

2

1009.70

50.4850

369067

369133

369100

0.4030

2

3

1018.05

10-2.5-5

50.9025

390875

390431

390653

0.4257

4

1011.15

50.5575

392506

398378

395442

0.4338

3

5

1014.20

10-2.5-5

50.7100

396157

391316

393736.5

0.4280

6

1009.75

50.4875

396926

395572

396249

0.4326

Conclusions:
The water solubility of the test item was found to be 0.42 g/l at 20ºC.
Executive summary:

Water solubility of the test item was determined using the shake flask method and following OECD guideline 105 and EU method A.6, under GLP conditions. After a preliminary test to determine the necessary concentration to saturate 70 mL of water, three 100 ml beakers were filled with 5 times this concentration. The three flasks were centrifuged for one day at 20ºC, and two and three days at 30ºC respectively. The concentration of the test substance was measured with a validated HPLC method and since results of the three vessels did not differ by more than 15% the test was considered satisfactory. Two replicate measurements were performed. The water solubility of the test item was 0.42 g/l at 20 ± 0.5°C (pH 5.73 -6.23).

Description of key information

Key study. Method according to OECD 105/ EU A.6, GLP study. The water solubility of the test item was 0.42 g/l at 20ºC.

Key value for chemical safety assessment

Water solubility:
0.42 g/L
at the temperature of:
20 °C

Additional information

Water solubility of the test item was determined using the shake flask method and following OECD guideline 105 and EU method A.6, under GLP conditions. After a preliminary test to determine the necessary concentration to saturate 70 mL of water, three 100 ml beakers were filled with 5 times this concentration. The three flasks were centrifuged for one day at 20ºC, and two and three days at 30ºC respectively. The concentration of the test substance was measured with a validated HPLC method and since results of the three vessels did not differ by more than 15% the test was considered satisfactory. Two replicate measurements were performed. The water solubility of the test item was 0.42 g/l at 20 ± 0.5°C (pH 5.73 -6.23).