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EC number: 233-139-2 | CAS number: 10043-35-3
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2003
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- yes
- Type of method:
- flask method
- Water solubility:
- 49.2 g/L
- Temp.:
- 20 °C
- pH:
- 3.7
- Details on results:
- Preliminary solubility test
The estimated water solubility is approximately 8.29 g/L. This value means that the shake-flask method had to be applied. Because of the theoretical water solubility (47 g/L) the water solubility test was performed using the theoretical value.
The mean value of the water solubility of Test 1, 2 and 3 is 49.20 ± 0.35 g/L. - Conclusions:
- The water solubility of the test substance was 49.20 ± 0.35 g/L at 20.0 ± 0.5 ºC.
- Executive summary:
Water solubility of the test item was assessed in a GLP-conform guideline study according to EU method A.6. The water solubility of the test substance was 49.20 ± 0.35 g/L at 20.0 ± 0.5 ºC.
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 2005-02-23 - 2006-06-02
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Deviations:
- not specified
- GLP compliance:
- yes
- Type of method:
- flask method
- Water solubility:
- 48.37 g/L
- Temp.:
- 20 °C
- pH:
- 3.6
- Water solubility:
- 36.24 g/L
- Temp.:
- 10 °C
- pH:
- 3.9
- Water solubility:
- 62.54 g/L
- Temp.:
- 30 °C
- pH:
- 4.4
- Details on results:
- The mean value of the water solubility of all test was: 48.37 ± 0.62 g/L at 20 ºC
The mean value of the water solubility of all test was: 36.24 ± 1.03 g/L at 10 ºC
The mean value of the water solubility of all test was: 62.54 ± 0.81 g/L at 30 ºC
The mean value of the water solubility at pH 7 of all tests was: 54.13 ± 0.75 g/L at 20 ºC
The mean value of the water solubility at pH 9 (tris buffer) of all tests was: 62.95 ± 1.47 g/L at 20 ºC
The mean value of the water solubility at pH 9 (ammonium carbonate buffer) of all tests was: 66.38 ± 0.13 g/L at 20 ºC - Conclusions:
- The mean value of the water solubility of all test was: 48.37 ± 0.62 g/L at 20 ºC
The mean value of the water solubility of all test was: 36.24 ± 1.03 g/L at 10 ºC
The mean value of the water solubility of all test was: 62.54 ± 0.81 g/L at 30 ºC
The mean value of the water solubility at pH 7 of all tests was: 54.13 ± 0.75 g/L at 20 ºC
The mean value of the water solubility at pH 9 (tris buffer) of all tests was: 62.95 ± 1.47 g/L at 20 ºC
The mean value of the water solubility at pH 9 (ammonium carbonate buffer) of all tests was: 66.38 ± 0.13 g/L at 20 ºC - Executive summary:
Water solubility of the test item was assessed in a GLP-conform guideline study according to EU method A.6. The water solubility of the test substance was 48.4 g/L at 20 °C.
Referenceopen allclose all
Solubility (shake flask method): Test number, stirring time, Tyndall value and the water solubility of the test substance at 20 ºC:
Test number |
Stirring time (h) |
pH |
Tyndall |
Water solubility (g/L) |
1 |
24 |
3.75 |
0.0020 (0.0018) |
48.86 |
2 |
48 |
3.54 |
0.0031 (0.0020) |
49.57 |
3 |
72 |
3.98 |
0.0022 (0.0021) |
49.16 |
The value between parentheses is Tyndall value of the blank.
The test medium, stirring time, re-equilibration temperature, pH, Tyndall value and the water solubility of the test substances:
Test |
Test medium |
Stirring time (h) |
Re-equilibration temperature (ºC) |
pH test solution |
Tyndall value* |
Solubility (g/L) |
A.1. |
Water |
24 |
20 |
3.61 |
- |
47.8 |
A.2. |
Water |
48 |
20 |
3.62 |
- |
49.2 |
A.3. |
Water |
72 |
20 |
3.61 |
- |
48.1 |
B.1. |
Water |
24 |
10 |
3.95 |
- |
35.6 |
B.2. |
Water |
48 |
10 |
3.91 |
- |
37.6 |
B.3. |
Water |
72 |
10 |
3.95 |
- |
35.6 |
C1. |
Water |
24 |
30 |
4.46 |
- |
61.7 |
C.2. |
Water |
48 |
30 |
4.36 |
- |
62.3 |
C.3. |
Water |
72 |
30 |
4.38 |
- |
63.5 |
D.1. |
KH2PO4-Buffer |
24 |
20 |
5.69 |
0.0032 (0.0016) |
54.98 |
D.2. |
KH2PO4-Buffer |
48 |
20 |
5.60 |
0.0024 (0.0015) |
53.86 |
D.3. |
KH2PO4-Buffer |
72 |
20 |
5.68 |
0.0026 (0.0015) |
53.55 |
E.1. |
Tris-buffer |
24 |
20 |
5.65 |
0.0027 (0.0015) |
63.71 |
E.2. |
Tris-buffer |
48 |
20 |
5.64 |
0.0024 (0.0015) |
63.87 |
E.3. |
Tris-buffer |
72 |
20 |
5.69 |
0.0029 (0.0016) |
61.25 |
F.1. |
Ammonium bicarbonate-buffer |
24 |
20 |
5.96 |
0.0018 (0.0022) |
66.35 |
F.2. |
Ammonium bicarbonate-buffer |
48 |
20 |
6.01 |
0.0035 (0.0042) |
66.52 |
F.3. |
Ammonium bicarbonate-buffer |
72 |
20 |
5.97 |
0.0018 (0.0038) |
66.27 |
* Tyndall value between parentheses is the Tyndall value of the blank. Calculations were performed using the values prior to rounding, calculations with rounded values presented in the table may differ slightly.
Description of key information
Water solubility of the test item was assessed in two independend GLP-conform studies according to EU method A.6:
Cordia, 2003: The water solubility of the test substance was 49.20 ± 0.35 g/L at 20.0 ± 0.5 ºC.
Spruit, 2006: The water solubility of the test substance was 48.4 g/L at 20 °C.
Due to the small deviation of both study results the arithmetic mean is chosen as key value for CSA.
Key value for chemical safety assessment
- Water solubility:
- 48.8 g/L
- at the temperature of:
- 20 °C
Additional information
In literature data, water solubility of the test item was reported with 47.2 g/L at a temperature of 20 °C. This supports the study-data.
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