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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:
from 2018-04-20 to 2018-05-18
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
About three times as much test item amount was used for the test as the estimated solubility based on the preliminary test. This quantity deviates from the guideline but is considered scientifically valid.
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
yes
Remarks:
About three times as much test item amount was used for the test as the estimated solubility based on the preliminary test. This quantity deviates from the guideline but is considered scientifically valid.
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
yes
Remarks:
About three times as much test item amount was used for the test as the estimated solubility based on the preliminary test. This quantity deviates from the guideline but is considered scientifically valid.
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Key result
Water solubility:
346.92 g/L
Conc. based on:
test mat.
Loading of aqueous phase:
1 300 g/L
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
>= 6.19 - <= 6.48

Preliminary test

The water solubility of the test item was estimated to be ca. 424.8 g/L.

Main test

The water solubility of the test item was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 ± 0.5 °C.

Table - Results of the determination of water solubility

Sampling time

Measured concentration of Test Item
(g/L)

Measured pH

Test vessels

Mean

After 24h

355.27

353.38

6.23

359.03

6.30

345.84

6.19

After 48h

351.18

346.56

6.28

370.90

6.17

317.60

6.29

After 72h

372.96

340.81

6.47

292.99

6.46

356.49

6.48

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

346.92 ± 15.63

-

RSD %:

2

-

Ultrapure Water

-

6.8

 

Conclusions:
The water solubility of the test item was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 ± 0.5 °C.
Executive summary:

The water solubility of the test item was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840 using the shake flask method with HPLC analysis. About 19.5 g test item were weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 15 mL ultra-pure water, the flasks were agitated at 30 °C.After one and two days, another three samples were prepared and added to shaker, respectively. After the pre-incubation time the nine test vessels were removed and re-equilibrated at 20 °C for 24 hours. Thereafter the content of the flasks wascentrifuged and the concentration in the clear aqueous phase was determined by HPLC.The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH = 6.19 – 6.48).

Description of key information

The water solubility of the test item was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 ± 0.5 °C.

Key value for chemical safety assessment

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

Additional information

The water solubility of the test item was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840 using the shake flask method with HPLC analysis. About 19.5 g test item were weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 15 mL ultra-pure water, the flasks were agitated at 30 °C.After one and two days, another three samples were prepared and added to shaker, respectively. After the pre-incubation time the nine test vessels were removed and re-equilibrated at 20 °C for 24 hours. Thereafter the content of the flasks wascentrifuged and the concentration in the clear aqueous phase was determined by HPLC.The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH = 6.19 – 6.48).