4-ethoxy-1,1,1-trifluoro-3-buten-2-one CAS 17129-06-5
| CAS No. | 17129-06-5 |
| Molecular Formula | C6H7F3O2 |
| Molecular Weight | 168.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS 17129-06-5), molecular formula C6H7F3O2 and molecular weight 168.11 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-ethoxy-1,1,1-trifluoro-3-buten-2-one (C6H7F3O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C6H7F3O2 |
| Molecular Weight | 168.11 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1961 |
| Halogen Content | F-containing |
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