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EC number: 204-024-4 | CAS number: 113-24-6
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 2018-04-20 to 2018-05-18
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- yes
- Remarks:
- About three times as much test item amount was used for the test as the estimated solubility based on the preliminary test. This quantity deviates from the guideline but is considered scientifically valid.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- yes
- Remarks:
- About three times as much test item amount was used for the test as the estimated solubility based on the preliminary test. This quantity deviates from the guideline but is considered scientifically valid.
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- yes
- Remarks:
- About three times as much test item amount was used for the test as the estimated solubility based on the preliminary test. This quantity deviates from the guideline but is considered scientifically valid.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- 346.92 g/L
- Conc. based on:
- test mat.
- Loading of aqueous phase:
- 1 300 g/L
- Incubation duration:
- >= 24 - <= 72 h
- Temp.:
- 20 °C
- pH:
- >= 6.19 - <= 6.48
- Conclusions:
- The water solubility of the test item was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 ± 0.5 °C.
- Executive summary:
The water solubility of the test item was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840 using the shake flask method with HPLC analysis. About 19.5 g test item were weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 15 mL ultra-pure water, the flasks were agitated at 30 °C.After one and two days, another three samples were prepared and added to shaker, respectively. After the pre-incubation time the nine test vessels were removed and re-equilibrated at 20 °C for 24 hours. Thereafter the content of the flasks wascentrifuged and the concentration in the clear aqueous phase was determined by HPLC.The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH = 6.19 – 6.48).
Reference
Preliminary test
The water solubility of the test item was estimated to be ca. 424.8 g/L.
Main test
The water solubility of the test item was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 ± 0.5 °C.
Table - Results of the determination of water solubility
Sampling time |
Measured concentration of Test Item |
Measured pH |
|
Test vessels |
Mean |
||
After 24h |
355.27 |
353.38 |
6.23 |
359.03 |
6.30 |
||
345.84 |
6.19 |
||
After 48h |
351.18 |
346.56 |
6.28 |
370.90 |
6.17 |
||
317.60 |
6.29 |
||
After 72h |
372.96 |
340.81 |
6.47 |
292.99 |
6.46 |
||
356.49 |
6.48 |
||
Solubility of the test item (g/L) with the 95 % confidence interval: |
346.92 ± 15.63 |
- |
|
RSD %: |
2 |
- |
|
Ultrapure Water |
- |
6.8 |
|
Description of key information
The water solubility of the test item was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 ± 0.5 °C.
Key value for chemical safety assessment
- Water solubility:
- 346.92 g/L
- at the temperature of:
- 20 °C
Additional information
The water solubility of the test item was determined according to OECD 105, Regulation (EC) No. 440/2008 method A.6 and OPPTS 830.7840 using the shake flask method with HPLC analysis. About 19.5 g test item were weighed into 100 mL stoppered Erlenmeyer flasks (nine parallels) according to the estimated solubility based on the Preliminary Test. After the addition of 15 mL ultra-pure water, the flasks were agitated at 30 °C.After one and two days, another three samples were prepared and added to shaker, respectively. After the pre-incubation time the nine test vessels were removed and re-equilibrated at 20 °C for 24 hours. Thereafter the content of the flasks wascentrifuged and the concentration in the clear aqueous phase was determined by HPLC.The samples were diluted before the analysis (two parallel dilutions). The pH of each sample was recorded. The water solubility of the test substance was determined to be 346.92 ± 15.63 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH = 6.19 – 6.48).
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