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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:
2018-11-20 to 2019-02-11
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
Water solubility:
720 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
7

Preliminary Test

The preliminary test at room temperature showed, that the water solubility of the test item was between 3000 and 3500 g/L. Therefore, the flask method was performed.

 

Main Test (flask method)

For the main test three flasks were prepared with an amount of test item and water, and one flask only with water. After stirring and centrifugation the aqueous phases were measured by means of HPLC. The solution of each flask has been measured twice. The values represented in the table are rounded values. The calculation was carried out with the original not rounded values.

 

Results of the flask method

Flask

1b

2a

3a

4a

measured value [g/L]

0.284/0.283

0.292/0.294

0.289/0.287

0/0

alfquot of the flask [mL]

0.25

0.25

0.25

0.25

total volume after 1st dilution [mL]

25

25

25

25

aliquot of the 1st dilution [mL]

1

1

1

1

total volume after 2nd dilution [mL]

25

25

25

25

water solubility [g/L]*

710/707

730/735

722/717

0/0

average water solubility [g/L]

708

732

719

0

mean value of the water
solubility [g/L]

720

0

standard deviation [g/L]

12

relative standard deviation [%]

1.7

* Under consideration of the dilution factor 2500

 

The water solubility of the test item at 20 °C and pH 7.0 was determined to be 720 g/L (RSD = 1.7 %)

 

Conclusions:
The water solubility of the test item at 20 °C and pH 7.0 was determined to be 720 g/L (RSD = 1.7 %)
Executive summary:

The water solubility was determined according to OECD 105 using the shake flask method with UV/VIS. About 10 g test substance were weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 100 mL ultra-pure water, the flasks were agitated at 30 °C. After addition of 100 mL, respectively, of double distilled water to each flask the flasks were stirred at 30 °C for different periods of time (24, 48 and 72 h). After the stirring times sufficient amounts of precipitate remained in the flasks to ensure the saturation of the solution. After stirring at 30 °C the flasks were cooled down to 20 °C and stirred at 20 °C for another 26 h. After 26 h stirring time the contents of the flasks were centrifuged for 30 min at 20 °C with 15000 rpm. For the analytical measurement by means of UV/VIS spectroscopy the centrifuged clear aqueous phases were diluted from 1 mL to 25 mL with double distilled water. The water solubility at 20 °C of the test item was determined to be 720 g/L.

Description of key information

The water solubility of the test item at 20 °C and pH 7.0 of the test item was determined to be 720 g/L (RSD = 1.7 %)

Key value for chemical safety assessment

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

Additional information

The water solubility was determined according to OECD 105 using the shake flask method with UV/VIS (reference 4.8 -1). About 10 g test substance was weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 100 mL ultra-pure water, the flasks were agitated at 30 °C. After addition of 100 mL, respectively, of double distilled water to each flask the flasks were stirred at 30 °C for different periods of time (24, 48 and 72 h). After the stirring times enough precipitate remained in the flasks to ensure the saturation of the solution. After stirring at 30 °C the flasks were cooled down to 20 °C and stirred at 20 °C for another 26 h. After 26 h stirring time the contents of the flasks were centrifuged for 30 min at 20 °C with 15000 rpm. For the analytical measurement by means of UV/VIS spectroscopy the centrifuged clear aqueous phases were diluted from 1 mL to 25 mL with double distilled water. The water solubility at 20 °C of the test item was determined to be 720 g/L.