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EC number: 701-257-8 | CAS number: -
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP guideline study.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Water solubility:
- 2.2 mg/L
- Conc. based on:
- element (total fraction)
- Remarks:
- TOC
- Incubation duration:
- <= 72 h
- Temp.:
- 20 °C
- pH:
- >= 7.8 - <= 8
- Details on results:
- For the determination of the concentration of the test substance in water the TOC- values of the solutions were determined. With these TOC-values and the carbon content of the test substance (65.3 %) the concentration of the test substance in water was calculated.
- Conclusions:
- According to the OECD-guideline 105 and EU guideline A.6 the water solubility of the test substance at 20°C is 2.2 mg/ L.
- Executive summary:
The water solubility of Mesamoll was determined according to OECD guideline 105 and EU guideline A.6.
In a preliminary test, the water solubility of Mesamoll was determined to be <10E-2 g/L. As Mesamoll is a liquid oleaginous substance consisting of many components, the column elution method cannot be performed and the flask method was chosen for the determination of the water solubility. The test substance consists of a mixture of mono sulfonic phenyl esters, di sulfonic phenyl esters and tri sulfonic phenyl esters. Caused by the low water solubility of the test substance and the large number of components in the test substance no specific method to determine the concentration of the test substance in water could be employed. In these low concentrations an HPLC-MS determination of the components in water is not possible. For the determination of the concentration of the test substance in water the TOC- values of the solutions were determined.
To investigate whether the components in the test substance show different water solublities, the tests were performed with a different surplus of the test substance. The first test routine was performed with an amount five times higher than the water solubility determined in the preliminary test. This procedure corresponds to the procedurec required by OECD guideline 105 and EU-guideline A.6. The second test routine was performed with an amount five thousand times higher than the water solubility determined in the preliminary test
A significant increase of the received TOC- values would be an indication for an accumulation of the more polar tri sulfonic phenyl esters in water. No significant differences excist between the water solubility determined with the two test routines. Therefore no significant accumulation of the more polar components of the test substance in water exists.
According to the OECD-guideline 105 and EU guideline A.6 the water solubility of the test substance at 20°C is 2.2 mg/ L.
Reference
- the pH ranged between 7.4 and 8.0 in all tested flasks
- no deviations between the different agitation times
- no significant accumulation of the more polar components of the test substance in water observed when testing the samples containing the test substance in the order of g/L
The determined water solubility of Mesamoll
weighted sample |
pH |
measured conc. (TOC) [mg/L] |
|
flask 1 |
11.5 mg/L |
8.0 |
2.3 |
flask 2 |
11.9 mg/L |
8.0 |
2.3 |
flask 3 |
10.8 mg/L |
7.8 |
2.0 |
Mean value: 2.2 mg/L
To investigate whether the components in the test substance show different water solublities, the tests were performed with a different surplus of the test substance. The first test routine was performed with an amount five times higher than the water solubility determined in the preliminary test This procedure corresponds to the procedurec required by OECD guideline I 05 and EU-guideline A6. The second test routine was performed with an amount five thousand times higher than the water solubility determined in the preliminary test
A significant increase of the received TOC- values would be an indication for an accumulation of the more polar tri sulfonic phenyl esters in water.
No significant differences excist between the water solub11ity determined with the two test routines. Therefore no significant accumulation of the more polar components of the test substance in water exists.
Surplus water solubility test
weighted sample |
pH |
measured conc. (TOC) [mg/L] |
|
flask 1 |
10.00 g/L |
7.7 |
2.6 |
flask 2 |
10.01 g/L |
7.4 |
2.7 |
flask 3 |
10.00 g/L |
7.4 |
4.7* |
*outlier, value was not considered
Description of key information
The water solubility of Mesamoll was determined according to OECD guideline 105 and EU guideline A.6.
In a preliminary test, the water solubility of Mesamoll was determined to be <10E-2 g/L. As Mesamoll is a liquid oleaginous substance consisting of many components, the column elution method cannot be performed and the flask method was chosen for the determination of the water solubility. The test substance consists of a mixture of mono sulfonic phenyl esters, di sulfonic phenyl esters and tri sulfonic phenyl esters. Caused by the low water solubility of the test substance and the large number of components in the test substance no specific method to determine the concentration of the test substance in water could be employed. In these low concentrations an HPLC-MS determination of the components in water is not possible. For the determination of the concentration of the test substance in water the TOC- values of the solutions were determined.
To investigate whether the components in the test substance show different water solublities, the tests were performed with a different surplus of the test substance. The first test routine was performed with an amount five times higher than the water solubility determined in the preliminary test. This procedure corresponds to the procedurec required by OECD guideline 105 and EU-guideline A.6. The second test routine was performed with an amount five thousand times higher than the water solubility determined in the preliminary test.
A significant increase of the received TOC- values would be an indication for an accumulation of the more polar tri sulfonic phenyl esters in water. No significant differences excist between the water solubility determined with the two test routines. Therefore no significant accumulation of the more polar components of the test substance in water exists.
According to the OECD-guideline 105 and EU guideline A.6 the water solubility of the test substance at 20°C is 2.2 mg/ L.
Key value for chemical safety assessment
- Water solubility:
- 2.2 mg/L
- at the temperature of:
- 20 °C
Additional information
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