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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 2018-02-26 to 2018-
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Reference:
Composition 0
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7840 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
flask method
Test material information:
Composition 1
Key result
Water solubility:
216.49 g/L
Conc. based on:
test mat.
Incubation duration:
>= 24 - <= 72 h
Temp.:
20 °C
pH:
9
Details on results:
The solubility of the test item in milli-Q water was determined to be 216.45 g/L, 216.44 g/L and 216.57 g/L for 24, 48 and 72 hours, respectively. The mean water solubility was determined to be 216.49 g/L at 20 °C with 0.03 % RSD and pH 9.0 by Shake flask method.

TABLE 1. Determination of the water solubility of the test item at 24 hours

Sample Code

Sample Peak Area

Slope

Intercept

Standard Conc. (mg/L)

Dilution Factor

Conc. Obtained (g/L)

Mean Conc. Obtained (g/L)

SD (±)

RSD (%)

Sample Flask 1 R1 24 Hrs-Rep 1

1614437

625767.8536

-4111.95

2.19

83333

215.54

216.45

1.03

0.48

Sample Flask 1 R1 24 Hrs -Rep 2

1614821

2.19

83333

215.59

Sample Flask 1 R2 24 Hrs -Rep 1

1629094

2.19

83333

217.49

Sample Flask 1 R2 24 Hrs -Rep 2

1626561

2.19

83333

217.16

 

TABLE 2. Determination of the water solubility of the test item at 48 hours

Sample Code

Sample Peak Area

Slope

Intercept

Standard Conc. (mg/L)

Dilution Factor

Conc. Obtained (g/L)

Mean Conc. Obtained (g/L)

SD (±)

RSD (%)

Sample Flask 2 R1 48 Hrs -Rep 1

1556711

606021.6181

-6897.88

2.19

83333

215.01

216.44

1.67

0.77

Sample Flask 2 R1 48 Hrs -Rep 2

1556564

2.19

83333

214.99

Sample Flask 2 R2 48 Hrs -Rep 1

1575841

2.19

83333

217.64

Sample Flask 2 R2 48 Hrs -Rep 2

1579347

2.19

83333

218.12

 

TABLE 3. Determination of the water solubility of the test item at 72 hours

Sample Code

Sample Peak Area

Slope

Intercept

Standard Conc. (mg/L)

Dilution Factor

Conc. Obtained (g/L)

Mean Conc. Obtained (g/L)

SD (±)

RSD (%)

Sample Flask 3 R1 72 Hrs -Rep 1

1568038

605287.6458

-3069.28

2.19

83333

216.30

216.57

0.24

0.11

Sample Flask 3 R1 72 Hrs -Rep 2

1568890

2.19

83333

216.42

Sample Flask 3 R2 72 Hrs -Rep 1

1571147

2.19

83333

216.73

Sample Flask 3 R2 72 Hrs -Rep 2

1571717

2.19

83333

216.81

 

TABLE 4. Water solubility – summary

Day

Test item Content       
(g/L)

pH

24 hours

216.45

9.0

48 hours

216.44

9.0

72 hours

216.57

9.0

Average

216.49

9.0

SD

0.072

-

% RSD

0.03

-

 

Conclusions:
The water solubility of the test item was determined to be 216.49 g/L at 20 °C.
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 HPLC analysis. About 10 g test item were weighed into stoppered conical flasks according to the estimated solubility based on the Preliminary Test. After the addition of 20 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, one of the vessels was removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C for 10 min and 5000rpm, and then the concentration in the clear aqueous phase was determined by HPLC-UV. 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. The pH of each sample was recorded. The water solubility of the test substance was determined to be 216.49 g/L at 20 °C (pH = 9.0).

Description of key information

The water solubility of the test item was determined to be 216.49 g/L at 20 °C.

Key value for chemical safety assessment

Water solubility:
216.49 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 HPLC analysis. About 10 g test item were weighed into stoppered conical flasks according to the estimated solubility based on the Preliminary Test. After the addition of 20 mL ultra-pure water, the flasks were agitated at 30 °C. After one day, one of the vessels was removed and re-equilibrated at 20 °C for 24 hours. The content of the vessel was then centrifuged at 20 °C for 10 min and 5000rpm, and then the concentration in the clear aqueous phase was determined by HPLC-UV. 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. The pH of each sample was recorded. The water solubility of the test substance was determined to be 216.49 g/L at 20 °C (pH = 9.0).