1-(3,4,5-Trimethoxyphenyl)butane-1,3-dione CAS 100613-36-3
| CAS No. | 100613-36-3 |
| Molecular Formula | C13H16O5 |
| Molecular Weight | 252.26 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 1-(3,4,5-Trimethoxyphenyl)butane-1,3-dione.
1-(3,4,5-Trimethoxyphenyl)butane-1,3-dione (CAS 100613-36-3) is a high-purity analytical reference standard with the molecular formula C13H16O5 and a molecular weight of 252.26 g/mol.
Structurally, 1-(3,4,5-Trimethoxyphenyl)butane-1,3-dione (C13H16O5) contains a carboxylic acid group, a hydroxyl group, an ether linkage, 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 252.26 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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 | C13H16O5 |
| Molecular Weight | 252.26 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
Related Trimethoxyphenyl Standards
- 1-(3,4,5-Trimethoxyphenyl)cyclopropanecarboxylic Acid (CAS 1033046-57-9)
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- 5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-ol (CAS 63698-53-3)
- (R)-2-(2,4,5-Trimethoxyphenyl)piperazine (CAS 1213154-19-8)
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