Registration Dossier
Registration Dossier
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EC number: 255-410-4 | CAS number: 41496-43-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From April 12, 2021 to May 10, 2021.
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 021
- Report date:
- 2021
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)
- 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
Test material
- Reference substance name:
- 2-methyl-3-(p-tolyl)propionaldehyde
- EC Number:
- 255-410-4
- EC Name:
- 2-methyl-3-(p-tolyl)propionaldehyde
- Cas Number:
- 41496-43-9
- Molecular formula:
- C11H14O
- IUPAC Name:
- 2-methyl-3-(4-methylphenyl)propanal
- Test material form:
- liquid
Constituent 1
Results and discussion
Water solubility
- Key result
- Water solubility:
- 376 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- >= 72 - <= 168 h
- Temp.:
- 20 °C
- pH:
- 4.27
Any other information on results incl. tables
The results of the main test are exposed in Table 1.
Table 1: Concentration (mg/l) of Jasmorange
| Time (h) | 24 | 48 | 72 | 168 |
| Sample A (mg/l) | 237.8 | 323.9 | 364.8 | 393.8 |
| Sample B (mg/l) | 238.2 | 332.4 | 363.6 | 380.1 |
| Average | 238.0 | 328.2 | 364.2 | 387.0 |
| % change | 6.3% |
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All tabulated values represent rounded-off results obtained by calculations based on the exact raw data. The flasks used for the calculation of the solubility value were those from contact times of 72h and 168h when the equilibrium was observed.
The pH values of each solution at different times were measured and can be found in the raw data of this study. In the solution at equilibrium (168h), which corresponds to a saturated solution of the substance the measured pH value is 4.27.
Applicant's summary and conclusion
- Conclusions:
- Solubility of 2-methyl-3-(p-tolyl)propionaldehyde in water: 376 mg/I at 20°C
- Executive summary:
The solubility of 2-methyl-3-(p-tolyl)propionaldehyde in ultrapure water was determined according to the OECD Guideline No. 105 (flask method), based on analysis of the two isomers of 2-methyl-3-(p-tolyl)propionaldehyde.
The result is:
Solubility of 2-methyl-3-(p-tolyl)propionaldehyde in water: 376 mg/I at 20°C
This result corresponds to the saturation mass concentration of 2-methyl-3-(p-tolyl)propionaldehyde in ultrapure water at 20°C.
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