(3E)-3-[(2H-1,3-Benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one CAS 80554-37-6
| CAS No. | 80554-37-6 |
| Molecular Formula | C17H12O4 |
| Molecular Weight | 280.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (3E)-3-[(2H-1,3-Benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one.
(3E)-3-[(2H-1,3-Benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one (CAS 80554-37-6), molecular formula C17H12O4 and molecular weight 280.27 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (3E)-3-[(2H-1,3-Benzodioxol-5-yl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one (C17H12O4) is characterized by a flavonoid core, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C17H12O4 |
| Molecular Weight | 280.27 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1980 |
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