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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:
05/09/2018 - 17/09/2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
3.2 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
>= 2.14 - <= 2.15

Table 1. Results 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

19.8

19.9

19.7

pH

2.14

2.15

2.15

Concentration of test item, g/kg

3.2220

3.1934

3.2392

3.2371

3.1585

3.1501

Average concentration of test item, g/kg

3.2077

3.2382

3.1543

Average concentration test item g/kg

3.2001

 

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

10.58

25-0.5-10-1-10

0.00211

156823

157652

157237.5

0.00001339

0.00001292

25-0.8-10-1-10

0.00337

265192

276252

270722

0.00001245

 

2

10.58

25-0.5-10-1-10

0.00211

230154

228058

229106

0.00000947

0.00000913

25-0.8-10-1-10

0.00337

392228

396971

394599.5

0.00000879

 

3

10.58

25-0.5-10-1-10

0.00211

170196

170396

170296

0.00001237

0.00001210

25-0.8-10-1-10

0.00337

284291

285084

284687.5

0.00001184

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

103.31

10-1-10

1.0331

255402

259898

257650

3.2220

2

102.68

1.0268

253473

254136

253804.5

3.1934

2

3

102.07

10-1-10

1.0207

362322

361844

362083

3.2392

4

102.36

1.0236

363037

362730

362883.5

3.2371

3

5

102.45

10-1-10

1.0245

268101

266735

267418

3.1585

6

103.14

1.0314

264918

272082

268500

3.1501

 

Conclusions:
The water solubility of the test item at 20ºC is 3.20 at 20ºC  and a pH range of 2.14 to 2.15.
Executive summary:

The water solubility study of the test item using the flask method was performed in accordance with the OECD 105 guideline / Method EU 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 item in each solution was determined by a validated HPLC method. Two replicates were performed; since results of the three vessels did not differ by more than 15% the test was considered satisfactory. The water solubility of the test item at 20ºC was found to be 3.20 g/L (pH 2.14 - 2.15).

Description of key information

Key study. Method according to OECD 105/ EU A.6, GLP study. The water solubility of the test item at 20ºC is 3.20 g/L.

Key value for chemical safety assessment

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

Additional information