(3E)-1,1,1-Trichloro-4-ethoxy-3-methylbut-3-en-2-one CAS 121781-57-5
| CAS No. | 121781-57-5 |
| Molecular Formula | C7H9Cl3O2 |
| Molecular Weight | 231.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(3E)-1,1,1-Trichloro-4-ethoxy-3-methylbut-3-en-2-one (CAS 121781-57-5), molecular formula C7H9Cl3O2 and molecular weight 231.50 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, (3E)-1,1,1-Trichloro-4-ethoxy-3-methylbut-3-en-2-one is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 231.50 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), (3E)-1,1,1-Trichloro-4-ethoxy-3-methylbut-3-en-2-one 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 | C7H9Cl3O2 |
| Molecular Weight | 231.50 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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.) | 1991 |
| Halogen Content | Cl-containing |
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