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EC number: 230-386-8 | CAS number: 7085-19-0
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 28 March 1988 to 18 June 1988
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- ca. 734 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Details on results:
- The average of the triplicate groups for the shaking periods of 24, 48, and 72 hours were 718, 754, and 729 mg/L, respectively. The overall average solubility of the test material in water was 734 mg/L. The test material was shown to be stable under the conditions of the test and no correction factor had to be applied to the data.
- Conclusions:
- Under the conditions of this study, the average water solubility of the test material was found to be 734 mg/L at 25 °C.
- Executive summary:
The water solubility of the test material was assessed according to the standardised guideline OECD 105, under GLP conditions using the flask method.
Samples of the test material (0.15 - 0.2 g) were added to triplicate test systems. The solubility of the test material in the aqueous layer was determined after 24, 48 and 72 hours using HPLC. The test material was shown to be stable under the conditions of the test.
Under the conditions of this study, the average water solubility of the test material was found to be 734 mg/L at 25 °C.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 20 July 2000 to 9 August 2000
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- other: JMAFF Guidelines
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Key result
- Water solubility:
- > 250 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 10
- Key result
- Water solubility:
- > 250 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 7
- Key result
- Water solubility:
- 4.37 g/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- pH:
- 4
- Key result
- Water solubility:
- 699 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 20 °C
- Remarks on result:
- other: Tested in purified water
- Details on results:
- The detector calibration was found to be linear over the range 0 to 207 mg/L of standard solutions in mobile phase with a regression coefficient of 1.0000.
No peaks were observed in the chromatograms of the blank solutions indicating that the analytical method was free from interference. - Conclusions:
- Under the conditions of this study, the solubility of the test material was found to be 699 mg/L in purified water, 4.37 g/L in pH 4 buffer solution, greater than 250 g/L in pH 7 buffer solution, and greater than 250 g/L in pH 10 buffer solution.
- Executive summary:
The solubility of the test material was assessed according to OECD Test Guideline 105 and in compliance with GLP following the flask method.
Under the conditions of this study, the solubility of the test material was found to be 699 mg/L in purified water, 4.37 g/L in pH 4 buffer solution, greater than 250 g/L in pH 7 buffer solution, and greater than 250 g/L in pH 10 buffer solution.
Referenceopen allclose all
Test Material Solubility Results
| Hours | Replicate | Average | Standard Deviation | Relative Standard Deviation (%) | ||
| 1 | 2 | 3 | ||||
| 24 | 733 | 707 | 715 | 718 | 13.3 | 2 |
| 48 | 766 | 718 | 777 | 754 | 31.4 | 4 |
| 72 | 752 | 707 | 729 | 729 | 22.5 | 3 |
The overall average result is calculated to be 734 mg/L at 25 °C. Standard deviation is 18.4.
Preliminary Test Results
Solvent System |
Volume of Solvent (mL) |
Solubility (mg/L) |
Purified water |
21 |
500 - 530 |
pH 4 buffer |
10 |
1 000 – 1 100 |
pH 7 buffer |
5 |
2 000 – 2 500 |
pH 10 buffer |
2.5 |
4 000 – 5 000 |
Standard Calibration for The Test Material by HPLC
Standard concentration (mg/L) |
Peak Area |
20.73 |
390.9 |
41.46 |
776.5 |
82.92 |
1562 |
124.4 |
2333 |
165.8 |
3128 |
207.3 |
3857 |
Linear regression: y = 18.7x + 5.33
(including x = 0, y = 0)
r = 1.0000
Where:
x = concentration
y = peak area
Measurements of Solubility in Purified Water at 20 °C
| Sample Number | Time (Days) | Concentration (mg/L) | Mean Concentration (mg/L) | pH | |
| Held at 30 °C | Equilibrated at 20 °C | ||||
| 1A, 1B | 1 | 1 | 703, 710 | 707 | 3.08, 3.08 |
| 2A, 2B | 2 | 1 | 694, 696 | 695 | 3.02, 3.11 |
| 3A, 3B | 3 | 1 | 708, 684 | 696 | 3.04, 3.05 |
Water solubility* = 699 ± 10 mg/L
(C. of V. = 1.4 %)
*Determined as mean of all samples.
Measurements of Solubility in pH 4 Buffer Solution at 20 °C
| Sample Number | Time (Days) | Concentration (mg/L) | Mean Concentration (mg/L) | pH | |
| Held at 30 °C | Equilibrated at 20 °C | ||||
| 1A, 1B | 1 | 1 | 4.36, 4.15 | 4.25 | 3.95, 3.94 |
| 2A, 2B | 2 | 1 | 4.58, 4.30 | 4.44 | 3.98, 3.96 |
| 3A, 3B | 3 | 1 | 4.47, 4.34 | 4.41 | 3.97, 3.96 |
Water solubility* = 4.37 ± 0.15 g/L
(C. of V. = 3.4 %)
*Determined as mean of all samples
Description of key information
Key Study: Comb (2000)
Under the conditions of this study, the solubility of the test material was found to be 699 mg/L in purified water, 4.37 g/L in pH 4 buffer solution, greater than 250 g/L in pH 7 buffer solution, and greater than 250 g/L in pH 10 buffer solution.
Supporting Study: Hoffman (1988)
Under the conditions of this study, the average water solubility of the test material was found to be 734 mg/L at 25 °C.
Key value for chemical safety assessment
- Water solubility:
- 699 mg/L
- at the temperature of:
- 20 °C
Additional information
Key Study: Comb (2000)
The solubility of the test material was assessed according to OECD Test guideline 105 and in compliance with GLP following the flask method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
Under the conditions of this study, the solubility of the test material was found to be 699 mg/L in purified water, 4.37 g/L in pH 4 buffer solution, greater than 250 g/L in pH 7 buffer solution, and greater than 250 g/L in pH 10 buffer solution.
Supporting Study: Hoffman (1988)
The water solubility of the test material was assessed according to the standardised guideline OECD 105, under GLP conditions using the flask method. The study was awarded a reliability score of 1 in accordance with the criteria set forth by Klimisch et al. (1997).
Samples of the test material (0.15 - 0.2 g) were added to triplicate test systems. The solubility of the test material in the aqueous layer was determined after 24, 48 and 72 hours using HPLC. The test material was shown to be stable under the conditions of the test.
Under the conditions of this study, the average water solubility of the test material was found to be 734 mg/L at 25 °C.
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