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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:
from 2020-02-24 to 2020-02-28
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Version / remarks:
1995
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
808 mg/L
Conc. based on:
test mat.
Loading of aqueous phase:
3 000 mg/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
>= 5.77 - <= 5.89
Details on results:
According to the test guideline, the result found after a defined incubation time should not differ by more than 15 % from the result found after a shorter incubation time. After 48 hours in comparison to the 24 hours results, the measured concentration was stable compared to 24 hours incubation and slightly increased after 72 hours shaking (+3 %). The acceptance criterium was therefore fulfilled and the study is valid.

Table 1: Data of the Performance of the Water Solubility Test

Sample No.

1

2

3

4

5

6

Weighed amount of test item [mg]

147.27

153.04

160.31

160.60

151.87

151.63

Volume of water [mL]

50

50

50

50

50

50

Loading rate [mg/L]

2945

3061

3206

3212

3037

3033

Agitation time at 30°C [hours]

24

24

48

48

72

72

Equilibration time at 20°C [hours]

24

24

24

24

24

24

pH value of test item solution

5.89

5.84

5.79

5.87

5.77

5.83

The tabulated values of the samples represent rounded results obtained by calculation using the exact raw data.

Table 2: Results for Determination of Water Solubility

Shaking Time

Measured Concentration of Test Item in the Sample
x

Sample Preparation Factor

F

Concentration of Test Item Determined in

the Sample
c

Water Solubility

Mean Value

Overall Mean
± Std. Dev.

[Hours]

[mg/L]

 

[mg/L]

[mg/L]

[mg/L]

24

383

2.0

767

802

808
± 32

419

2.0

837

48

416

2.0

832

801

385

2.0

770

72

417

2.0

833

821

405

2.0

809

Conclusions:
The mean water solubility of the test item was determined to be 808 ± 32 mg/L (mean ± standard deviation) at 20 °C at pH values ranging from 5.77 to 5.89.
Executive summary:

A study was conducted according to OECD Test Guideline 105 (1995) using the Shake Flask method. After a shaking time of 24 hours, 48 hours and 72 hours, respectively, at 30 °C, the samples were equilibrated for another 24 hours at 20 °C. Afterwards, the samples were centrifuged, diluted and analyzed by HPLC with UV-detection. The water solubility of the test item was determined to be 808 ± 32 mg/L at 20 °C at pH values ranging from 5.77 to 5.89.

Description of key information

The mean water solubility of the test item was determined to be 808 ± 32 mg/L (mean ± standard deviation) at 20 °C at pH values ranging from 5.77 to 5.89.

Key value for chemical safety assessment

Water solubility:
808 mg/L
at the temperature of:
20 °C

Additional information

A study was conducted according to OECD Test Guideline 105 (1995) using the Shake Flask method. After a shaking time of 24 hours, 48 hours and 72 hours, respectively, at 30 °C, the samples were equilibrated for another 24 hours at 20 °C. Afterwards, the samples were centrifuged, diluted and analyzed by HPLC with UV-detection. The water solubility of the test item was determined to be 808 ± 32 mg/L at 20 °C at pH values ranging from 5.77 to 5.89.