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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:
16 to 30 January 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes (incl. certificate)
Remarks:
Swiss Federal Office of Public Health
Type of method:
flask method
Key result
Water solubility:
2.68 g/L
Temp.:
20 °C
pH:
>= 3.8 - <= 6.5
Remarks on result:
other: sum of four constituents

The test item consists of several constituents, resulting in four peaks under the given HPLC conditions. The evaluation of the water solubility was made based on the sum of the peak areas. The results are given in the following table.

 

Results of the Water Solubility of the test item.The tabulated values represent rounded results, obtained by calculation using the exact raw data.

Sample No.

Shaking time at

30 °C

Test item solution pH

Determined

concentration

Water Solubility

Mean Value

Overall

Mean ± Std.

Dev.

Rel. Std.

Dev.

 

[hours]

 

[mg/L]

[mg/L]

[mg/L]

[%]

 

Higher Loading rate

72-7

72

3.79

2717

2728

2694 ± 30

1.1

72-8

72

3.78

2739

48-7

48

3.74

2706

2687

48-8

48

3.80

2668

24-7

24

3.82

2667

2668

24-8

24

3.95

2669

 

Lower Loading rate

72-5

72

6.52

2651

2666

2667 ± 34

1.3

72-6

72

6.28

2682

48-5

48

6.66

2713

2702

48-6

48

6.45

2690

24-5

24

6.24

2643

2634

24-6

24

6.99

2625

 

Total Mean of 6 tests

2681 ± 32

1.2

 

At the higher loading rate (about 100 g/L) an overall mean content in water of 2.69 ± 0.03 g/L was obtained at a pH ca. 3.8. At the lower loading rate (about 10 g/L) an overall mean of 2.67 ± 0.03 g/L was obtained at a pH ca. 6.5. Since there is no significant difference between the two loading rates, the water solubility determination based on summing up of the peak areas of the individual constituents is an appropriate procedure for the test compound. The water solubility of the test compound was calculated based on the mean values of the six assays.

 

The water solubility of the test item based on evaluation of the peak area sum of four constituents was found to be 2.68 ± 0.03 g/L.

Conclusions:
A water solubility value of 2.68 ± 0.03 g/L (at 20 °C, pH = 3.8-6.5) was determined for the test substance according to OECD 105.

Description of key information

Water solubility: 2.68 ± 0.03 g/L at 20 °C, pH = 3.8-6.5 (OECD 105, shake flask method)

Key value for chemical safety assessment

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

Additional information

The water solubility determination based on evaluation of the peak area sum of four constituents.