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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:
20 July 2018 to 24 October 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Remarks:
GLP study in accordance with international guidelines
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Remarks:
Date of Inspection: 18 July 2017 to 20 July 2017 Date on Certificate: 28 November 2017
Type of method:
flask method
Key result
Water solubility:
0.006 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
30 °C
pH:
4.2
Remarks on result:
other: this result is with respect to the cationic components of the test item
Key result
Water solubility:
0.031 g/L
Conc. based on:
test mat.
Incubation duration:
72 h
Temp.:
20 °C
pH:
4.2
Remarks on result:
other: this result is with respect to the anionic components of the test item
Details on results:
The preliminary estimate of the water solubility at 20.0 ± 0.5 °C was 4.7E-3 g/L for the cationic components and 3.2E-2 g/L for the anionic components. The solution had a pH of 4.7.

Cationic components

The mean total peak areas relating to the standard and sample solutions are shown in the following table:

Table 2

Solution

Mean Total Peak Area*

Standard 1.03 mg/L

1.206 x 106

Standard 2.06 mg/L

2.525 x 106

Standard 5.14 mg/L

5.958 x 106

Standard 10.3 mg/L

1.807 x 107

Standard 15.4 mg/L

1.513 x 107

Standard 20.6 mg/L

1.896 x 107

Standard 25.7 mg/L

2.215 x 107

Standard 10.1 mg/L

1.001 x 107

Matrix blank

-

Sample 1A

3.517 x 106

Sample 1B

3.482 x 106

Sample 2A

3.325 x 106

Sample 2B

3.318 x 106

Sample 3A

3.305 x 106

Sample 3B

3.247 x 106

*corrected for matrix blank

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Table 3

Sample Number

Time Shaken at ~ 30 °C (hours)

Concentration (g/L)

Solution pH

1

72

6.04 x 10-3

4.2

2

48

5.71 x 10-3

4.2

3

24

5.62 x 10-3

4.2

Mean concentration : 5.79 x 10-3 g/L at 20.0 ± 0.5 °C

Range : 5.62 x 10-3 to 6.04 x 10-3 g/L

Standard Deviation : 2.22 x 10-4 g/L

Anionic components

The mean total peak areas relating to the standard and sample solutions are shown in the following table:

Table 4

Solution

Mean Total Peak Area*

Standard 1.03 mg/L

1.803 x 105

Standard 2.06 mg/L

3.780 x 105

Standard 5.14 mg/L

9.814 x 105

Standard 10.3 mg/L

2.014 x 106

Standard 15.4 mg/L

3.086 x 106

Standard 20.6 mg/L

4.259 x 106

Standard 25.7 mg/L

5.389 x 106

Standard 10.1 mg/L

2.041 x 106

Matrix blank

-

Sample 1A

3.099 x 106

Sample 1B

3.122 x 106

Sample 2A

3.126 x 106

Sample 2B

3.138 x 106

Sample 3A

3.206 x 106

Sample 3B

3.233 x 106

*corrected for matrix blank

The concentration (g/L) of test item in the sample solutions is shown in the following table:

Table 5

Sample Number

Time Shaken at ~ 30 °C (hours)

Concentration (g/L)

Solution pH

1

72

3.03 x 10-2

4.2

2

48

3.06 x 10-2

4.2

3

24

3.13 x 10-2

4.2

Mean concentration : 3.07 x 10-2 g/L at 20.0 ± 0.5 °C

Range : 3.03 x 10-2 to 3.13 x 10-2 g/L

Standard Deviation : 5.22 x 10-4 g/L

As the test item is a liquid, the flask method was performed.

On completion of the equilibration period, the samples were clear and colourless with excess test item present as globules on the glass, on the surface of the liquid and some in suspension. The solutions were decanted, avoiding excess test item prior to centrifugation. After centrifugation and filtration, the supernatants were taken for analysis. The supernatants were visually observed to be clear, colourless and free from un-dissolved test item. However, all three solutions indicated a faint Tyndall beam.

All individual water solubility results were within ± 15% of the mean, thus satisfying the criteria specified in the guidelines.

Conclusions:
The water solubility of the test item has been determined to be 5.79E-3 g/L of solution (with respect to the cationic components of the test item) and 3.07E-2 g/L of solution (with respect to the anionic components of the test item) at 20.0 ± 0.5 °C.
Executive summary:

The water solubility of the test item has been determined to be 5.79E-3 g/L of solution (with respect to the cationic components of the test item) and 3.07E-2 g/L of solution (with respect to the anionic components of the test item) at 20.0 ± 0.5 °C, using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995.

Description of key information

The water solubility of the test item has been determined to be 5.79E-3 g/L of solution (with respect to the cationic components of the test item) and 3.07E-2 g/L of solution (with respect to the anionic components of the test item) at 20.0 ± 0.5 °C.

Key value for chemical safety assessment

Additional information

The water solubility of the test item has been determined to be 5.79E-3 g/L of solution (with respect to the cationic components of the test item) and 3.07E-2 g/L of solution (with respect to the anionic components of the test item) at 20.0 ± 0.5 °C, using the flask method, designed to be compatible with Method A.6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995. Therefore it was not possible to select one key value.