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EC number: 460-490-0 | CAS number: 477218-42-1
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:
- 15-07-2004 to 19-07-2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Guideline study performed under GLP ; with scientifically acceptable modifications. All relevant validity criteria were met.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- modified to "saturation equilibrium method" ; Determination of the water solubility of the test item employing the flask method equivalent to the “slow stirring” or “no stirring” approach. The decision of the “slow stirring” or “no stirring” method was made due to the test item properties. The test guideline was consistent with OECD Guideline 105 (water solubility) modified similarly to the principles reported by Letinski et. al. (2002) and OECD TG 123 (2006). The objective of the modifications was to avoid the formation of small droplets/emulsion.
- Deviations:
- yes
- Remarks:
- see "Version / remarks"
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- see above
- Deviations:
- yes
- Remarks:
- see above
- GLP compliance:
- yes
- Type of method:
- flask method
- Remarks:
- modified to "saturation equilibrium method" ; the deployed method was consistent with OECD Guideline 105 (water solubility) modified similarly to the principles reported by Letinski et. al. (2002) and OECD TG 123 (2006).
- Water solubility:
- 3.85 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 552 h
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Average of concentrations reported for both bottles between 432-552h.
- Water solubility:
- 3.8 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 432 h
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Concentration in water (bottle no. 1) at 432h.
- Water solubility:
- 3.8 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 504 h
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Concentration in water (bottle no. 1) at 504h.
- Water solubility:
- 3.8 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 552 h
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Concentration in water (bottle no. 1) at 552h.
- Water solubility:
- 3.9 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 432 h
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Concentration in water (bottle no. 2) at 432h.
- Water solubility:
- 3.9 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 504 h
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Concentration in water (bottle no. 2) at 504h.
- Water solubility:
- 3.9 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 552 h
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: Concentration in water (bottle no. 2) at 552h.
- Conclusions:
- Interpretation of results: slightly soluble (0.1-100 mg/L)
The substance water solubility was determined to be 3.85 mg/L of solution at 20.0 °C and pH 7. - Executive summary:
The water solubility of the test item was determined using the flask method according to OECD Method 105 and EU Method A.6 under GLP, with acceptable modifications. In the definitive test, mixtures of test item and double-distilled water were added to three separate flasks. The mass of test item was measured, and the 400 mL volume of water added. The flasks were equilibrated at 20°C. The solutions were extracted using liquid-liquid extraction and then analysed via GC-FID. The pH of each solution was also measured. The water solubility of the test item was determined to be 3.85 mg/L of solution at 20.0 °C and pH 7.0. Applicant assessment indicates: the water solubility of the test item was determined employing a method equivalent to the “slow stirring” or “no stirring” approach. The decision of the “slow stirring” or “no stirring” method was made due to the test item properties. The deployed method was consistent with OECD Guideline 105 (water solubility) modified similarly to the principles reported by Letinski et. al. (2002) and OECD TG 123 (2006). The objective of the modifications was to avoid the formation of small droplets/emulsion.
Reference
The preliminary estimate of the water solubility at room temperature was < 995 mg/L. The solution had a pH of 7.0.
The main test results are as follows:
| Contact time [hours] | Concentration in water (bottle no. 1) [mg/L] | Concentration in water (bottle no. 2) [mg/L] |
| 72 | 3.8 | 3.6 |
| 144 | 3.4 | 3.8 |
| 216 | 3.9 | 3.7 |
| 264 | 3.4 | 3.3 |
| 336 | 3.4 | 3.3 |
| 384 | 3.1 | 3.4 |
| 432 | 3.8 | 3.9 |
| 504 | 3.8 | 3.9 |
| 552 | 3.8 | 3.9 |
For all solutions, the measured pH was 7. The results obtained in the reconstituted water (ISO medium) were unusable and so were not considered in the report.
The average water solubility observed over the readings taken between 432 and 552h was found to be 3.85 mg/L.
Description of key information
Water Solubility: 3.85 mg/L at 20 °C and pH 7.0, OECD 105 and EU Method A.6 – flask method, 2005
Key value for chemical safety assessment
- Water solubility:
- 3.85 mg/L
- at the temperature of:
- 20 °C
Additional information
Key study : OECD TG 105 - modified to saturation equilibration method, 2005 : The water solubility of the test item was determined using the flask method according to OECD Method 105 and EU Method A.6 under GLP, with acceptable modifications. In the definitive test, mixtures of test item and double-distilled water were added to three separate flasks. The mass of test item was measured, and the 400 mL volume of water added. The flasks were equilibrated at 20°C. The solutions were extracted using liquid-liquid extraction and then analysed via GC-FID. The pH of each solution was also measured. The water solubility of the test item was determined to be 3.85 mg/L of solution at 20.0 °C and pH 7.0. Applicant assessment indicates: the water solubility of the test item was determined employing a method equivalent to the “slow stirring” or “no stirring” approach. The decision of the “slow stirring” or “no stirring” method was made due to the test item properties. The deployed method was consistent with OECD Guideline 105 (water solubility) modified similarly to the principles reported by Letinski et. al. (2002) and OECD TG 123 (2006). The objective of the modifications was to avoid the formation of small droplets/emulsion.
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