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EC number: 200-389-9 | CAS number: 58-61-7
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 04 - 12 September
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- Regulation (EC) No 440/2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- Adenosine
- EC Number:
- 200-389-9
- EC Name:
- Adenosine
- Cas Number:
- 58-61-7
- Molecular formula:
- C10H13N5O4
- IUPAC Name:
- adenosine
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Oxidane
- Test material form:
- solid: particulate/powder
- Details on test material:
- Batch No.: 10004539
Storage at room temperature approx. 20°C
Constituent 1
impurity 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- 4.13 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 20 °C
- pH:
- >= 7 - <= 7.6
- Details on results:
- Preliminary test
This preliminary test indicated a water solubility of 1 to 10 g/L, as about 0.1 g were completely dissolved in 100 mL of ultra-pure water.
Main test
The results are given in the table in the next section. The individual results of the test vessels, which were deemed constant, were averaged and are given in mass per volume of solution. The test is satisfactory if the concentrations of at least the last two vessels do not differ by more than 15%.
Any other information on results incl. tables
HPLC determinations:
| Test vessel | pH | Analysed concentration A (g/L) | Analysed concentration B (g/L) | Analysed concentration C (g/L) | Mean (g/L) |
| No. 1 | 7.0 | 3.94 | 4.14 | 4.11 | 4.06 |
| No. 2 | 7.1 | 4.17 | 4.06 | 3.74 | 3.99 |
| No. 3 | 7.3 | 4.25 | 4.43 | 4.37 | 4.35 |
| No. 4 | 7.6 | 4.09 | 4.12 | 4.12 | 4.11 |
| Overall Mean | 4.13 |
The concentrations of the three vessels differed by 9% (validity criterion given by OECD is met).
Applicant's summary and conclusion
- Conclusions:
- The water solubility of Adenosine (CAS no. 58-61-7) was determined according to TG OECD 105.
The water solubility of the test item at 20°C was 4.13 g/L. The pH of the aqueous samples was 7.0 to 7.6. - Executive summary:
The water solubility of Adenosine (CAS no. 58-61-7) was determined according to TG OECD 105. Several test vessels containing ultra-pure water mixed with test item in great excess (initial amount of test item about 50 g per liter water), were incubated and stirred for different periods of time at about 30 °C (saturation phase), and then transferred to ca. 20 °C for 24 h (equilibration phase). Undissolved test item was subsequently separated by centrifugation. The concentration of test item in the clear aqueous phase was determined with HPLC.
The determined concentrations were as follows:
4.06 g/L after one day at 30 °C, followed by 24 h at 20 °C, pH 7.0 3.99 g/L after two days at 30 °C, followed by 24 h at 20 °C, pH 7.1 4.35 g/L after three days at 30 °C, followed by 24 h at 20 °C, pH 7.3 4.11 g/L after seven days at 30 °C, followed by 24 h at 20 °C, pH 7.6
As the determined concentration after three days of stirring at 30 °C and 24 h at about 20 °C increased in comparison with the results obtained after one and two days of stirring at 30 °C and 24 h at about 20 °C, the test was prolonged by using longer equilibration times. The concentration was also determined after seven days of stirring at about 30 °C and 24 h at about 20 °C.
The test vessels from all samplings were considered for the overall result, because no significant variation of the test item concentration was observed over the whole test duration.
The water solubility of Adenosine, calculated as the mean of all four test vessels, is 4.13 g/L at a pH of 7.0 to 7.6 and ca. 20 °C.
The validity criterion was fulfilled.
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