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EC number: 936-023-6 | CAS number: 950782-86-2
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP-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:
- column elution method
- Water solubility:
- 4.4 mg/L
- Temp.:
- 20 °C
- pH:
- 4
- Remarks on result:
- other: RSD [%]= 0.2
- Water solubility:
- 2.8 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.6 - <= 6.9
- Remarks on result:
- other: RSD [%] = 3.9
- Water solubility:
- 2.8 mg/L
- Temp.:
- 20
- pH:
- 9
- Remarks on result:
- other: RSD [%] = 1.7
- Details on results:
- Corrections with the sample purity (98.7 % w/w) were made
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: GLP-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:
- column elution method
- Water solubility:
- 1.7 mg/L
- Temp.:
- 20 °C
- pH:
- 4
- Remarks on result:
- other: RSD [%]= 1.5
- Water solubility:
- 1.2 mg/L
- Temp.:
- 20 °C
- pH:
- >= 6.3 - <= 7
- Remarks on result:
- other: RSD [%] = 7
- Water solubility:
- 1.2 mg/L
- Temp.:
- 20
- pH:
- 9
- Remarks on result:
- other: RSD [%] = 7.7
- Details on results:
- Corrections with the sample purity (98.7 % w/w) were made
Referenceopen allclose all
Preliminary estimation of the water solubility
Visual estimation: Solubility in buffer pH 4
Appearance of the test mixtures
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
100.9
|
0.1 |
undissolved particles 1) |
0.5 |
undissolved particles 1) |
|
1.0 |
undissolved particles 1) |
|
2.0 |
undissolved particles 1) |
|
10.0 |
undissolved particles 1) |
|
100 |
undissolved particles 1,2) |
The mixture was shaken 1) and sonicated for 15 min 2).
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
9.9 |
100 |
undissolved particles |
10.0 |
500 |
undissolved particles |
9.8 |
1000 |
undissolved particles |
Visual estimation: Solubility in distilled water
Appearance of the test mixtures
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
100.1
|
0.1 |
undissolved particles 1) |
0.5 |
undissolved particles 1) |
|
1.0 |
undissolved particles 1) |
|
2.0 |
undissolved particles 1) |
|
10.0 |
undissolved particles 1) |
|
100 |
undissolved particles 1,2) |
The mixture was shaken 1) and sonicated for 15 min 2).
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
10.8 |
100 |
undissolved particles |
11.9 |
500 |
undissolved particles |
10.6 |
1000 |
undissolved particles |
Visual estimation: Solubility in buffer pH 9
Appearance of the test mixtures
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
100.1
|
0.1 |
undissolved particles 1) |
0.5 |
undissolved particles 1) |
|
1.0 |
undissolved particles 1) |
|
2.0 |
undissolved particles 1) |
|
10.0 |
undissolved particles 1) |
|
100 |
undissolved particles 1,2) |
The mixture was shaken 1) and sonicated for 15 min 2).
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
10.1 |
100 |
undissolved particles |
10.2 |
500 |
undissolved particles |
10.6 |
1000 |
undissolved particles |
Even in a total volume of 1000 mL undissolved particles could be observed. Thus, the
water solubility of the test item is less than 10 mg/L and had to be determined using the
"column elution" method.
Preliminary estimation of the water solubility
Visual estimation: Solubility in buffer pH 4
Increasing buffer pH 4 amounts were added stepwise to about 100 mg of the test
item.
Appearance of the test mixtures
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
100.3
|
0.1 |
undissolved particles 1) |
0.5 |
undissolved particles 1) |
|
1.0 |
undissolved particles 1) |
|
2.0 |
undissolved particles 1) |
|
10.0 |
undissolved particles 1) |
|
100 |
undissolved particles 1,2) |
The mixture was shaken 1) and sonicated for 15 min 2).
Increasing amounts of buffer pH 4 were added to about 10 mg of the test item.
The mixtures were sonicated for 3 h.
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
10.3 |
100 |
undissolved particles |
10.5 |
500 |
undissolved particles |
10.2 |
1000 |
undissolved particles |
Visual estimation: Solubility in distilled water
Increasing distilled water amounts were added stepwise to about 100 mg of the test
item.
Appearance of the test mixtures
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
100.7
|
0.1 |
undissolved particles 1) |
0.5 |
undissolved particles 1) |
|
1.0 |
undissolved particles 1) |
|
2.0 |
undissolved particles 1) |
|
10.0 |
undissolved particles 1) |
|
100 |
undissolved particles 1,2) |
The mixture was shaken 1) and sonicated for 15 min 2).
Increasing amounts of distilled were added to about 10 mg of the test item.
The mixtures were sonicated for 3 h.
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
10.7 |
100 |
undissolved particles |
10.7 |
500 |
undissolved particles |
10.6 |
1000 |
undissolved particles |
Visual estimation: Solubility in buffer pH 9
Increasing buffer pH 9 amounts were added stepwise to about 100 mg of the test
item.
Appearance of the test mixtures
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
100.1
|
0.1 |
undissolved particles 1) |
0.5 |
undissolved particles 1) |
|
1.0 |
undissolved particles 1) |
|
2.0 |
undissolved particles 1) |
|
10.0 |
undissolved particles 1) |
|
100 |
undissolved particles 1,2) |
The mixture was shaken 1) and sonicated for 15 min 2).
Increasing amounts of buffer pH 9 were added to about 10 mg of the test item.
The mixtures were sonicated for 3 h.
Amount of test item [mg] |
Total volume [mL] |
Appearance of mixture |
10.8 |
100 |
undissolved particles |
10.8 |
500 |
undissolved particles |
10.1 |
1000 |
undissolved particles |
Even in a total volume of 1000 mL undissolved particles could be observed. Thus, the
water solubility of the test item is less than 10 mg/L and had to be determined using the
"column elution" method.
Description of key information
1.7 - 4.4 mg/L at 20 °C (pH 4)
1.2 - 2.8 mg/L at 20 °C (pH 6.3-7.0; distilled water)
1.2 - 2.8 mg/L at 20 °C (pH 9)
Key value for chemical safety assessment
- Water solubility:
- 2.8 mg/L
- at the temperature of:
- 20 °C
Additional information
OECD 105; column elution method
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