Ethyl 4-oxo-4-(3-trifluoromethylphenyl)butyrate CAS 166312-68-1
| CAS No. | 166312-68-1 |
| Molecular Formula | C13H13F3O3 |
| Molecular Weight | 274.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 4-oxo-4-(3-trifluoromethylphenyl)butyrate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 4-oxo-4-(3-trifluoromethylphenyl)butyrate (CAS 166312-68-1) is a high-purity analytical reference standard with the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol.
Structurally, Ethyl 4-oxo-4-(3-trifluoromethylphenyl)butyrate (C13H13F3O3) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 274.24 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C13H13F3O3 |
| Molecular Weight | 274.24 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2004 |
| Halogen Content | F-containing |
Recommended Standards
- 9-Phenanthryl trifluoromethyl ketone (CAS 163082-41-5)
- 1-(2-Nitro-4-(trifluoromethyl)phenyl)piperidine (CAS 1692-79-1)
- Ethyl 4-oxo-4-(4-trifluoromethylphenyl)butyrate (CAS 155722-95-5)
- 2,2-dimethyl-N-[4-(trifluoroacetyl)pyridin-3-yl]propanamide (CAS 1803595-02-9)
- (R)-Camptothecin (CAS 1083-11-0)
- 6-(Methylsulfonyl)-2-pyridinecarboxylic Acid (CAS 1186663-28-4)
- N-[1-(3-Chloropropyl)piperidin-4-yl]-4-fluorobenzamide (CAS 72084-87-8)
- 4-(Difluoromethyl)-3-(trifluoromethyl)picolinonitrile (CAS 1805303-52-9)
- (2R,3R,4S,5R)-2-(6-Hydroxy-8-(piperazin-1-yl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (CAS 329692-35-5)
- [(4-methyl-2-oxo-2H-chromen-6-yl)oxy]acetic acid (CAS 95767-60-5)
- 1-(4-(Tert-butyl)phenyl)propan-2-ol (CAS 105994-79-4)
- 5-[4-(N,N-Dimethylamino)phenyl]-5-oxovaleric acid (CAS 139675-88-0)
- 5-(Ethoxycarbonyl)thiophene-2-carboxylic acid (CAS 156910-49-5)
- Allo-D-Ile12-Tirzepatide (CAS CATO-CPTD788963)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com