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EC number: 676-712-6 | CAS number: 68890-85-7
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From May 2, 2016 to May 27, 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- not specified
- Type of method:
- flask method
- Key result
- Water solubility:
- 35.6 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 104 mg/L
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- 5.64
- Key result
- Water solubility:
- 68.8 mg/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 1 010 mg/L
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- 6.25
- Details on results:
- As solubility was dependent on nominal concentration, no exact value for the solubility of the test substance in water could be stated. The solubility range for the tested nominal concentration 104–1010 mg/L was determined to be 35.6 – 68.6 mg/L at 20.0 ± 0.5 °C, corresponding to 6.8 – 34.2 % of the test substance relating to its nominal concentration (cfr Table 1 in "Any other information on results incl. tables).
- Conclusions:
- Under the study conditions, the solubility range for the tested nominal concentration 104– 1010 mg/L was determined to be 35.6 – 68.6 mg/L at 20.0 ± 0.5 °C. This corresponds to 6.8 – 34.2% of the test substance relating to its nominal concentration (flask method).
- Executive summary:
A study was conducted to determine the water solubility of the test substance using flask method according to OECD Guideline 105 and EU method A.6. The solubility of the test substance in water was determined by measurement of dissolved organic carbon (DOC) concentrations in the membrane filtered test solutions using TOC analyser. The quantity of test substance necessary to saturate the desired volume of water was first determined in a preliminary test (with nominal concentrations of 10 mg/L and 1000 mg/L test substance). In the main test, six different loading rates of the test substance were chosen to study the effect of the loading rate on the measured water solubility: 100, 300, 500, 600, 800 and 1000 mg/ L (nominal). Measurements were realised after 24, 48 and 72 h. The measurements after 72 h were further selected for the calculation of the solubility of the test substance in water. As solubility was dependent on nominal concentration, no exact value for the solubility of the test substance in water could be stated. Under the study conditions, the solubility range for the tested nominal concentration 104–1010 mg/L was determined to be 35.6 – 68.6 mg/L at 20.0 ± 0.5 °C, corresponding to 6.8 – 34.2% of the test substance relating to its nominal concentration (Affolter 2016).
Reference
The measurements on day 3 from the flasks 1A-C (mean value), 2 -3 and 5 -6 were used in the calculation of the solubility of the test substance in water.
Table 1. Results
| Flask | Measured conc. test substance (mg/L) | Nominal conc. test substance (mg/L) | Dissolved part (%) | pH value |
| 2 | 35.6 | 104 | 34.2 | 5.64 |
| 3 | 45.4 | 306 | 14.8 | 5.86 |
| 1 | 51.1 | 507 | 10.1 | 6** |
| 4 | 79.5 | 604 | 13.2* | 5.85 |
| 5 | 65.2 | 804 | 8.1 | 5.93 |
| 6 | 68.6 | 1010 | 6.8 | 6.25 |
*the values written in italics were outliers and not further used
**measured via pH paper
Dependency of solubility on amount of the test substance (nominal load) was perceived in the main study. Dependency of dissolved part on amount of the test substance (nominal load) was perceived, too. Dependency of pH value on amount of the test substance (nominal load) was not perceived.
Description of key information
The water solubility was determined according to OECD Guideline 105 and EU Method A.6 (flask method) (Affolter, 2016)
Key value for chemical safety assessment
- Water solubility:
- 68.6 mg/L
- at the temperature of:
- 20 °C
Additional information
Ranges from 35.6 – 68.6 mg/L at 20.0 ± 0.5 °C, corresponding to 6.8 – 34.2% of the nominal test concentrations.
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