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Diss Factsheets

Physical & Chemical properties

Water solubility

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Administrative data

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
from 2018-09-13 to 2018-10-25
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)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method
Key result
Water solubility:
358 g/L
Conc. based on:
test mat.
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
>= 4.57 - <= 4.75

Table 1. Results of the determination of water solubility of the test item

Sampling time

Measured concentration of Test Item
(g/L)

Measured pH

Test vessels

Mean

After 24h

341.8

373.6

4.74

388.4

4.73

390.7

4.75

After 48h

415.2

367.4

4.65

394.8

4.63

292.3

4.64

After 72h

277.4

332.4

4.58

349.6

4.57

370.2

4.57

Solubility ofthe test item (g/L)
with the 95% confidence interval:

358 ± 55

-

RSD%:

6

-

 

Conclusions:
The water solubility of the test item was determined to be 358 ± 55 g/L at 20 °C using the shake-flask method.
Executive summary:

The water solubility was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840 using the shake flask method with LC/MS/MS analysis. About 25 mg test item were weighed into stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 50 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by LC/MS/MS. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted before the analysis (100000-fold dilution). The pH of each sample was recorded. The water solubility of the test substance was determined to be 358 ± 55 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH 4.57 – 4.75).

Description of key information

The water solubility of the test item was determined to be 358 ± 55 g/L at 20 °C using the shake-flask method.

Key value for chemical safety assessment

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

Additional information

The water solubility was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840 using the shake flask method with LC/MS/MS analysis. About 25 mg test item were weighed into stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 50 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, three of the vessels were removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C and the concentration in the clear aqueous phase was determined by LC/MS/MS. The other flasks were treated similarly after initial equilibration at 30 °C for two and three days, respectively. The samples were diluted before the analysis (100000-fold dilution). The pH of each sample was recorded. The water solubility of the test substance was determined to be 358 ± 55 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH 4.57 – 4.75).