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EC number: 269-198-6 | CAS number: 68189-42-4
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1 - 2 September 2020
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 020
- Report date:
- 2020
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Version / remarks:
- 2008
- Deviations:
- yes
- Remarks:
- See principles of the method if other than guideline.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Version / remarks:
- 1995
- Deviations:
- yes
- Remarks:
- See principles of method if other than guideline
- Principles of method if other than guideline:
- Due to the very high water solubility of the test item, estimated in a preliminary test, a modified test design was applied based on the OECD 105 guideline. Instead of equilibrating a large amount of test item with water by stirring over several days and subsequently separating the test item from the saturated solution, water was added in a stepwise procedure to a defined amount of test item until complete dissolution occurred.
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- Methanol
- EC Number:
- 200-659-6
- EC Name:
- Methanol
- Cas Number:
- 67-56-1
- Molecular formula:
- CH4O
- IUPAC Name:
- methanol
- Reference substance name:
- Acetone
- EC Number:
- 200-662-2
- EC Name:
- Acetone
- Cas Number:
- 67-64-1
- Molecular formula:
- C3H6O
- IUPAC Name:
- acetone
- Reference substance name:
- Water
- EC Number:
- 231-791-2
- EC Name:
- Water
- Cas Number:
- 7732-18-5
- Molecular formula:
- H2O
- IUPAC Name:
- Oxidane
- Reference substance name:
- p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)
- EC Number:
- 269-198-6
- EC Name:
- p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)
- Cas Number:
- 68189-42-4
- Molecular formula:
- C6H6NO6P.2C4H11NO3
- IUPAC Name:
- 4-nitrophenyl dihydrogen phosphate - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2)
- Test material form:
- solid
- Details on test material:
- Batch / Lot No. 46587100
impurity 1
impurity 2
impurity 3
Constituent 1
- Specific details on test material used for the study:
- Batch no.: 46587100
Storage conditions: 2–8 °C, protected from light
Results and discussion
Water solubility
- Key result
- Water solubility:
- >= 709 g/L
- Conc. based on:
- test mat. (dissolved fraction)
- Temp.:
- 23 °C
- pH:
- >= 6 - <= 7
- Details on results:
- PRELIMINARY TEST:
In the preliminary test, 0.1 g of the test item were dissolved in 0.1 ml of ultra-pure water, indicating a water solubility of >1000 g/l.
DEFINITIVE TEST:
The results are given in the table in "any other information on results incl. tables". The water solubility of 4-NPP, di-TRIS was determined according to a modified design based on the OECD 105 guideline. The water solubility was determined as the mean of the replicates analysed with HPLC. As this method does not ensure complete saturation of the solution, it is given as minimum value in mass per volume of solution. The test is satisfactory, if the concentrations of the three 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) |
Mean (g/L) |
| No. 1 | 6 -7 | 700 | 705 | 702 |
| No. 2 | 6 -7 | 686 | 715 | 701 |
| No. 3 | 6 -7 | 723 | 723 | 723 |
| Overall Mean | 709 |
The concentrations of the three vessels differed by 3.1% (validity criterion as given by the OECD guideline 105 is met).
Applicant's summary and conclusion
- Conclusions:
- The water solubility of 4-NPP, di-TRIS (CAS no. 68189-42-4), was determined according to a modified test design based on the OECD 105 guideline. The determined water solubility of the test item is >=709 g/l at a pH of 6-7 and 23 °C.
- Executive summary:
The water solubility of 4-NPP, di-TRIS (CAS no.68189-42-4) was determined according to a modified test design based on the OECD 105 guideline due to the high water solubility of the test item.
To this end, increasing volumes of ultra-pure water were added in a stepwise procedure, to 1000 mg of the test item at 22 ± 2°C until complete dissolution, which occurred after addition of 0.9 ml water. The concentration of test item was subsequently determined by HPLC with UV detection.
The determined water solubility of 4-NPP, di-TRIS at 23 °C and pH 6-7 is >=709 g/l.
The validity criterion was fulfilled
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