2-Benzyl-3-ethoxy-2-fluoro-3-oxopropanoic acid CAS 100701-57-3
| CAS No. | 100701-57-3 |
| Molecular Formula | C12H12FO4 |
| Molecular Weight | 239.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 239.22 g/mol gives 2-Benzyl-3-ethoxy-2-fluoro-3-oxopropanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-Benzyl-3-ethoxy-2-fluoro-3-oxopropanoic acid (CAS 100701-57-3), molecular formula C12H12FO4 and molecular weight 239.22 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C12H12FO4, 2-Benzyl-3-ethoxy-2-fluoro-3-oxopropanoic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 239.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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), 2-Benzyl-3-ethoxy-2-fluoro-3-oxopropanoic acid 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 | C12H12FO4 |
| Molecular Weight | 239.22 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
Related Benzyl Standards
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