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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:
2012-09-20 - 2012-12-19
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Guideline study with certificated GLP compliance. No methodology deficiencies are reported.
Qualifier:
according to
Guideline:
OECD Guideline 105 (Water Solubility)
Qualifier:
according to
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
yes (incl. certificate)
Remarks:
The Department of Health of the Government of The United Kingdom
Type of method:
flask method
Water solubility:
0 g/L
Temp.:
20
Remarks on result:
other: pH is not reported.
Details on results:
Anionic components must have been present since an anion exchange column was required. Based on this components, the determined water solubility was an over estimation since the anions have the typical structure of a surface active material and it could be different to remove the excess from the samples. Additionally, the water solubility of the test substance in an undissociated from would be expected to be much lower than the obtained result.

Table 1. Mean Peak Areas

Solution

Mean Peak Area

Standard 103mg/L

4.4879x107

Standard 106mg/L

4.7949x107

Sample 1A

1.5136x107

Sample 1B

1.0362x107

Sample 2A

6.1113x106

Sample 2B

3.7221x106

Sample 3A

7.8210x106

Sample 3B

9.5757x106

Table 2. Test substance concentration in sample solutions

Sample Number

Time Shaken at

~ 30 °C (hours)

Time Equilibrated

at20°C (hours)

Concentration (g/L)

Solution pH

1

24

24

2.88 x 10-4

6.0

2

48

24

1.11 x 10-4

6.0

3

72

24

1.96 x 10-4

6.1

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
The study report describes a valid guideline study conducted under certificated GLP compliance. The water solubility was determined to be 1.98 x 10E-4 g/L at 20 +/- 0.5 °C.
Executive summary:

Using the shake flask method, the water solubility of magnesium sulfonate target substance (CAS 231297-75-9) was determined according to OECD Guideline 105/EU Method A.6 (Fox, 2012). A preliminary test was performed in order to select the appropriate method (column elution or shake flask) and to determine the approximate amount of test substance to be used in the definitive test. The sample analysis was performed via High Performance Liquid Chromatography (HPLC). As result, a water solubility of 1.98 x E-4 g/L at 20 +/- 0.5 °C is reported. Anionic components must have been present since an anion exchange column was required. Based on this components, the determined water solubility was an over estimation since the anions have the typical structure of a surface active material and it could be different to remove the excess from the samples. Additionally, the water solubility of the test substance in an undissociated from would be expected to be much lower than the obtained result.

Description of key information

OECD 105/EU Method A.6_Shake flask method_Water solubility: 0.198 mg/L 

Key value for chemical safety assessment

Water solubility:
0.198 mg/L
at the temperature of:
20 °C

Additional information

The key value was determined using the shake flask method in accordance to OECD Guideline 105/EU Method A.6 (Fox, 2013). The test substance is considered to be slightly soluble at 20 +/- 0.5 °C.