3-Methyl-2-oxo-1-oxaspiro[4.5]Dec-3-ene-4-carboxylic acid CAS 29542-72-1
| CAS No. | 29542-72-1 |
| Molecular Formula | C11H14O4 |
| Molecular Weight | 210.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Methyl-2-oxo-1-oxaspiro[4.5]Dec-3-ene-4-carboxylic acid (CAS 29542-72-1) is a high-purity analytical reference standard with the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol.
Structurally, 3-Methyl-2-oxo-1-oxaspiro[4.5]Dec-3-ene-4-carboxylic acid (C11H14O4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 210.23 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.
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 | C11H14O4 |
| Molecular Weight | 210.23 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1965 |
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