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EC number: 237-331-7 | CAS number: 13749-61-6
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:
- Experimental Starting Date: 17 May 2012, Experimental Completion Date: 03 July 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- Study conducted to GLP and in compliance with agreed protocols, with no or minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not effect the quality of the relevant results.
- 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:
- EPA OPPTS 830.7840 (Water Solubility)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
- Water solubility:
- 30.5 g/L
- Temp.:
- 20 °C
- pH:
- 4.6
- Remarks on result:
- other: The water solubility of the test item, corrected for purity, has been determined to be 30.5 g/L of solution at 20.0 ± 0.5 °C.
- Conclusions:
- Very soluble (> 10000 mg/L)
The water solubility of the test item, corrected for purity, has been determined to be 30.5 g/L of solution at 20.0 ± 0.5 °C. - Executive summary:
Water solubilty
Method
The determination was carried out using the flask method, designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 830.7840 of the OPPTS Guidelines.
The test system consists of glass double-distilled water.
Conclusion
The water solubility of the test item, corrected for purity, has been determined to be 30.5 g/L of solution at 20.0 ± 0.5 °C.
Reference
Results
Preliminary test:
The preliminary estimate of water solubility was 35.1 g/L at 20.0 ± 0.5 °C.
Definitive test :
Please see Attachment 1 (attached background material) for the Typical Chromatography.
The mean peak areas relating to the standard and sample solutions are shown in the following table:
Table 3.15
Solution |
Mean PeakArea |
Standard 50.3 mg/L |
8.9266 x 107 |
Standard 50.3 mg/L |
8.9753 x 107 |
Sample 1A |
6.0302 x 107 |
Sample 1B |
6.0372 x 107 |
Sample 2A |
5.9132 x 107 |
Sample 3A |
6.0619 x 107 |
Standard 50.3 mg/L |
8.9696 x 107 |
Standard 50.3 mg/L |
9.0255 x 107 |
Sample 2B |
6.0211 x 107 |
Sample 3B |
6.0116 x 107 |
No peak was observed in the chromatography of the matrix blanks at the retention time of the test item.
The concentration (g/L) of test item in the sample solutions is shown in the following table:
Table 3.16
Sample Number |
Time Shaken at ~ 30 ºC (hours) |
Time Equilibrated at 20 ºC (hours) |
Concentration (g/L) |
Solution pH |
|
Analyzed |
Corrected for purity |
||||
1 |
24 |
24 |
33.9 |
30.7 |
4.6 |
2 |
48 |
24 |
33.4 |
30.3 |
4.6 |
3 |
72 |
24 |
33.8 |
30.6 |
4.7 |
Mean corrected concentration: 30.5 g/L
at 20.0 ± 0.5 ºC
Range: 30.3 to 30.7 g/L
Validation
The linearity of the detector response with respect to concentration was assessed over the concentration range of 0 to 101 mg/L. This was satisfactory with a correlation coefficient (r2) of 1.000 being obtained.
Description of key information
The water solubility of the test item, corrected for purity, has been determined to be 30.5 g/L of solution at 20.0 ± 0.5 °C.
Key value for chemical safety assessment
- Water solubility:
- 30.5 g/L
- at the temperature of:
- 20 °C
Additional information
The determination was carried out using the flask method, designed to be compatible with Method A6 Water Solubility of Commission Regulation (EC) No 440/2008 of 30 May 2008, Method 105 of the OECD Guidelines for Testing of Chemicals, 27 July 1995 and Method 830.7840 of the OPPTS Guidelines.
The test system consists of glass double-distilled water.
The water solubility of the test item, corrected for purity, has been determined to be 30.5 g/L of solution at 20.0 ± 0.5 °C.
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