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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:
3 October 2018 to 26 October 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
July 1995
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
0.004 g/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
>= 6.32 - <= 7.28

In the test, the following flasks were used:

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

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

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

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 the 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 1. Results of the preliminary test:

0.1 g 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 2: Calibration solution

Day

Weight (mg)

Dilution (mL)

Cw(mg/mL)

Peak area

Average peak area Aw

f

Average f

1

24.77

25-1.0-25-1-10-2-5

0.00158

135379

138081

136730

0.00001158

0.00001144

25-1.0-25-1-10

0.00396

349664

350844

350254

0.00001130

2

24.77

25-1.0-25-1-10-2-5

0.00158

137576

138644

138110

0.00001181

0.00001172

25-1.0-25-1-10

0.00396

350263

350719

350491

0.00001164

3

24.77

25-1.0-25-1-10-2-5

0.00158

137146

137257

137201.5

0.00001154

0.0000146

25-1.0-25-1-10

0.00396

348150

348313

348231.5

0.00001137

 

Table 3: 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

1997.63

5

399.526

144333

143291

143812

0.0041

2

1998.84

399.768

146348

147595

146971.5

0.0042

2

3

2006.97

5

401.394

142114

143153

142633.5

0.0042

4

2010.47

402.094

144295

144319

144307

0.0042

3

5

2016.91

5

403.382

144818

144259

144538.5

0.0041

6

2011.83

402.366

144541

144337

144439

0.0041

Table 4. Results of the test item solubility in water:

Mixing time at 30ºC

(days, flasks)

1

2

3

Samples

1

2

3

4

5

6

Temperature (ºC)

20.0

20.1

20.3

Concentration of test item (g/kg)

0.0041

0.0042

0.0042

0.0042

0.0041

0.0041

Average concentration of test item (g/kg)

0.0042

0.0042

0.0041

Average concentration of test item (g/kg)

0.0042

The solubility of Reaction mass of isopentyl salicylate and 2-methybutyl salicylate in water is 0.0042 g/kg. The density of this solution is about 1 kg/l (about water density). After recalculation:

The solubility of Reaction mass of isopentyl salicylate and 2-methybutyl salicylate at pH 6.32 – 7.28 in water is 0.0042 g/l.

Conclusions:
The solubility of the test item at 20± 0.5 ºC and pH 6.32 - 7.28 in water is 0.0042 g/l.
Executive summary:

The solubility of the test item in water was assessed using the flask method according to OECD 105 and EU method A.6, under GLP conditions. A preliminary study was performed to determine an approximate solubility of the test item at the solvent volume in which the whole substance was dissolved. The test item was placed into 100 mL glass vessels fitted with glass stoppers and double distilled water was added to the vessel. The closed vessels were agitated. The test item content in obtained samples for study of the solubility in the water values was determined by a validated HPLC method. The solubility of the test item at 2 0± 0.5 ºC and at pH ranging from 6.32 - 7.28 is 0.0042 g/L

Description of key information

Key study. OECD 105 and EU Method A.6 . GLP study. The solubility of the test item in water at pH 6.32 -7.28 is 0.0042 g/l.

Key value for chemical safety assessment

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

Additional information

The solubility of the test item in water was assessed using the flask method according to OECD 105 and EU method A.6, under GLP conditions. A preliminary study was performed to determine an approximate solubility of the test item at the solvent volume in which the whole substance was dissolved. The test item was placed into 100 mL glass vessels fitted with glass stoppers and double distilled water was added to the vessel. The closed vessels were agitated. The test item content in obtained samples for study of the solubility in the water values was determined by a validated HPLC method. The solubility of the test item at 2 0± 0.5 ºC and at pH ranging from 6.32 - 7.28 is 0.0042 g/L