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EC number: 240-198-8 | CAS number: 16052-06-5
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 2020-12-01 to 2021-02-23
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- yes
- Remarks:
- Due to the fact that the test item showed no evaluable UV activity, a quantitative determination of the water solubility via HPLC with UV detection was not possible. Thus, an extended preliminary test was used for the estimation of the water solubility.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 2008
- Deviations:
- yes
- Remarks:
- Due to the fact that the test item showed no evaluable UV activity, a quantitative determination of the water solubility via HPLC with UV detection was not possible. Thus, an extended preliminary test was used for the estimation of the water solubility.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: simplified flask method
- Key result
- Water solubility:
- >= 1 853.2 - < 2 007.4 g/L
- Conc. based on:
- test mat. (total fraction)
- Temp.:
- 22 °C
- pH:
- 6.6
- Conclusions:
- The water solubility of the test item was estimated to be 1853.2 g/L ≤ c < 2007.4 g/L.
- Executive summary:
An experimental study was conducted according to Regulation (EC) No 440/2008 Method A.6. and OECD Test Guideline 105. Due to the fact that the test item showed an insufficient UV activity, a quantitative determination of the water solubility via HPLC with UV detection was not possible. Thus, only the preliminary test and an additional solubility test were used for the estimation of the water solubility. The water solubility of the test item was estimated to be 1853.2 g/L ≤ c < 2007.4 g/L.
Reference
Preliminary Test
Amount of test item [mg] | Total volume of added water [mL] | Ultrasonic time [h:min] | Remark |
113.66 | 0.1 | - | Not dissolved |
113.66 | 0.6 | 0:02 | Dissolved |
In the preliminary test, the solubility of the test item in water at room temperature was estimated to be 189.43 g/L ≤ c < 1136.6 g/L.
Additional Solubility Test
Amount of water [mL] | Amount of added test item [g] | Total amount of added test item [g] | Ultrasonic time [h:min] | Remark |
100 | 19.36 | 19.36 | - | Dissolved |
100 | 4.33 | 23.69 | - | Dissolved |
100 | 3.89 | 27.58 | - | Dissolved |
100 | 4.64 | 32.22 | - | Dissolved |
100 | 5.01 | 37.23 | - | Dissolved |
100 | 6.06 | 43.29 | - | Dissolved |
100 | 6.82 | 50.11 | - | Dissolved |
100 | 7.53 | 57.64 | - | Dissolved |
100 | 5.61 | 63.25 | - | Dissolved |
100 | 6.08 | 69.33 | - | Dissolved |
100 | 8.91 | 78.24 | - | Dissolved |
100 | 6.20 | 84.44 | - | Dissolved |
100 | 10.11 | 94.55 | - | Dissolved |
100 | 3.44 | 97.99 | - | Dissolved |
100 | 9.21 | 107.20 | - | Dissolved |
100 | 8.49 | 115.69 | - | Dissolved |
100 | 7.71 | 123.40 | - | Dissolved |
100 | 6.75 | 130.15 | - | Dissolved |
100 | 10.22 | 140.37 | - | Dissolved |
100 | 12.07 | 152.44 | - | Dissolved |
100 | 13.56 | 166.00 | - | Dissolved |
100 | 19.32 | 185.32 | - | Dissolved |
100 | 15.42 | 200.74 | 28:00 | Not dissolved |
In the additional test, the more precise solubility of the test item in water at room temperature (22 °C) and a pH value of 6.6 was estimated to be 1853.2 g/L ≤ c < 2007.4 g/L. The reason that these values are not in harmony with the values from the preliminary test is that the preliminary test was performed with a much smaller quantity of test item and water.
Description of key information
The water solubility of the test item was estimated to be 1853.2 g/L ≤ c < 2007.4 g/L (reference 4.8-1).
Key value for chemical safety assessment
Additional information
An experimental study was conducted according to Regulation (EC) No 440/2008 Method A.6. and OECD Test Guideline 105. Due to the fact that the test item showed an insufficient UV activity, a quantitative determination of the water solubility via HPLC with UV detection was not possible. Thus, only the preliminary test and an additional solubility test were used for the estimation of the water solubility. The water solubility of the test item was estimated to be 1853.2 g/L ≤ c < 2007.4 g/L.
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