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EC number: 200-469-3 | CAS number: 60-32-2
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 2017-09-11 to 2017-09-15
- 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
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- 587.55 g/L
- Conc. based on:
- test mat.
- Incubation duration:
- 72 h
- Temp.:
- 20 °C
- pH:
- >= 8.27 - <= 8.3
- Conclusions:
- The water solubility of the test item was determined to be 587.55 ± 14.69 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH between 8.27 to 8.30).
- Executive summary:
A study was conducted according to OECD TG 105, Regulation (EC) No. 440/2008, method A.6 and OPPTS guideline No. 830.7840 in order to determine the water solubility of the test item by using the shake flask method. The calibration solutions were prepared in 1 – 100 μg/mL range. The calibration samples were analysed by HPLC-UV method with two replicate injections from each. The water solubility was determined with 3 replicates after 24, 48 and 72 hours. The mean water solubility of the test item was determined to be 587.55 ± 14.69 g/L (95 % confidence interval) at 20 °C ± 0.5 °C.
Reference
Preliminary Test
The water solubility of the test item was estimated to be ca. 543 g/L in a preliminary test, therefore the shake-flask method was used in the main test.
Calibration
The calibration solutions were prepared in 1 – 100 μg/mL range. The calibration samples were analysed by HPLC-UV method with two replicate injections from each. Concentration of the test item was calculated with the help of the calibration equation given in Table 2.
Table 1: Data of the calibration
| Concentration (µg/mL) |
Mean of the Peak Areas (n=3) |
Accuracy (absolute value) (%) |
| 1.1 | 4398 | 12 |
| 2.1 | 9473 | 9 |
| 5.4 | 25673 | 3 |
| 10.7 | 54406 | 2 |
| 21.4 | 106516 | 1 |
| 53.5 | 274057 | 2 |
| 107.0 | 536366 | 0 |
Table 2: Regression data
| Analytical occation | Constant | X coefficient | R. Squared |
| 15.09.2017 | -344 | 5037 | 1.000 |
Table 3: Determination results of water solubility of test item
| Sampling time | Measured concentration of test item (g/L) |
Measured pH | |
| Test vessel | Mean | ||
| After 24h | 565.05 | 580.75 | 8.30 |
| 593.67 | 8.28 | ||
| 583.51 | 8.27 | ||
| After 48h | 585.64 | 591.47 | 8.30 |
| 611.40 | 8.30 | ||
| 577.35 | 8.30 | ||
| After 72h | 584.32 | 590.43 | 8.30 |
| 592.27 | 8.30 | ||
| 594.69 | 8.30 | ||
| Solubility of the test item (g/L) with the 95 % confidence interval: | 587.55 ± 14.69 | - | |
| RSD %: | 1 | - | |
| Ultrapure water | - | 6.9 | |
The repeatability of the determination was < 15% and thus within the range required by the guidelines.
Description of key information
The water solubility of the test item was determined to be 587.55 ± 14.69 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (pH between 8.27 to 8.30).
Key value for chemical safety assessment
- Water solubility:
- 587.55 g/L
- at the temperature of:
- 20 °C
Additional information
A study was conducted according to OECD TG 105, Regulation (EC) No. 440/2008, method A.6 and OPPTS guideline No. 830.7840 in order to determine the water solubility of the test item by using the shake flask method. The calibration solutions were prepared in 1 – 100 μg/mL range. The calibration samples were analysed by HPLC-UV method with two replicate injections from each. The water solubility was tested with 3 replicates after 24, 48 and 72 hours. The mean water solubility of the test item was determined to be 587.55 ± 14.69 g/L (95 % confidence interval) at 20 °C ± 0.5 °C (reference 4.8-1).
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