Methyl 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate CAS 476429-18-2
| CAS No. | 476429-18-2 |
| Molecular Formula | C12H13F3O2 |
| Molecular Weight | 246.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate (CAS 476429-18-2), molecular formula C12H13F3O2 and molecular weight 246.23 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate (C12H13F3O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 246.23 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), Methyl 2-methyl-2-[4-(trifluoromethyl)phenyl]propanoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H13F3O2 |
| Molecular Weight | 246.23 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
Recommended Standards
- Methyl 2-methyl-2-(3-(trifluoromethyl)phenyl)propanoate (CAS 254895-41-5)
- Methyl 4-(4-fluorophenoxy)benzoate (CAS 500556-98-9)
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