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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:
19. Mar. 2018 to 29. Mar. 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:
353.8 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
1 250 g/L
Incubation duration:
6 d
Temp.:
20 °C
pH:
>= 5.29 - <= 5.33

Measurements during Equilibration

 

Time
[h]
(flask)

Tempera
ture
[°C]

pH*

Dilution
factor

Peak
area
[mAU*min]

Concentration
test item
[g/L]

Difference to
previous
sample [%]

22.1
(1A)

19.5

6-7

320000

93328.7

302.7

 

98974.8

46.3
(1B)

19.5

6-7

320000

99210.6

331.7

+9.6 %

110953.4

70.1
(1C)

19.5

6-7

320000

114435.9

352.0

+6.1 %

108219.0

94.0
(1A)

20.5

6-7

640000

69015.0

359.6

+2.2 %

68764.8

118.3
(1B)

20.5

6-7

640000

70636.3

365.6

+1.7 %

69359.6

142.0
(1C)

20.5

6-7

640000

69922.9

366.2

+0.1 %

70264.2

 

As no rising tendency was observed between samplings at 118.3 h and 142.0 h, the plateau was considered reached and sampling of flasks 2-6 was performed

 

Measurements at Plateau

 

Flask

Temperature
[°C]

pH

Dilution
factor

Peak area
[mAU*min]

Measured values
[g/L]

Blank

19.5

7

-

461.5

< LOQ

507.9

2wdh

20.0

5.29

640000

63330.0

351.7

62866.8

3wdh

20.0

5.29

640000

61692.8

342.8

61459.1

4wdh

20.0

5.31

640000

64585.5

360.8

64720.9

5wdh

20.0

5.33

640000

65959.4

366.6

65315.6

6wdh

20.0

5.31

640000

62463.5

346.9

62084.3

 

pH at the plateau was tested using a calibrated pH meter except blank was tested using pH paper

 

The measurements after 6 d incubation (flasks 2wdh – 6wdh) were used for the calculation of the solubility of the test item in water.

 

Flask

Concentration [mg/L]

Total Mean [mg/L]

Total Standard Deviation [mg/L] (RSD* [%])

2

351.7

353.8

8.8
(2.5)

3

342.8

4

360.8

5

366.6

6

346.9

 

Conclusions:
The water solubility of the test item was determined to be 353.8 g/L at pH 5.29 - 5.33 and 20 °C.
Executive summary:

The water solubility was determined according to OECD 105 using the shake flask method with HPLC analysis. About 25 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 10 or 5 mL ultra-pure water, the flasks were agitated at 30 °C. The six vessels (for the sampling point 72 h) were set onto the shaking apparatus immediately and shaking was started.As no rising tendency was observed between samplings at 118.3 h and 142.0 h, the plateau was considered reached and sampling of flasks 2-6 was performed.The aqueous samples (about 2-4 mL) were membrane filtrated (0.45 µm, nylon) to exclude the presence of undissolved particles. Then, an appropriate volume was diluted with demineralised water and prepared for measurement. The pH of each sample was recorded. The water solubility of the test substance was determined to be 353.8 ± 8.8 g/L (95 % confidence interval) at 20 °C ± 1 °C (pH 5.29 to 5.33).

Description of key information

The water solubility of the test item was determined to be 353.8 g/L at pH 5.29 - 5.33 and 20 °C.

Key value for chemical safety assessment

Water solubility:
353.8 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 HPLC analysis. About 25 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 10 or 5 mL ultra-pure water, the flasks were agitated at 30 °C. The six vessels (for the sampling point 72 h) were set onto the shaking apparatus immediately and shaking was started. As no rising tendency was observed between samplings at 118.3 h and 142.0 h, the plateau was considered reached and sampling of flasks 2-6 was performed. The aqueous samples (about 2-4 mL) were membrane filtrated (0.45 µm, nylon) to exclude the presence of undissolved particles. Then, an appropriate volume was diluted with demineralised water and prepared for measurement. The pH of each sample was recorded. The water solubility of the test substance was determined to be 353.8 ± 8.8 g/L (95 % confidence interval) at 20 °C ± 1 °C (pH 5.29 to 5.33) (reference 4.8 -1).