Diethyl 2-(2-methylbut-3-yn-2-yl)malonate CAS 21079-27-6
| CAS No. | 21079-27-6 |
| Molecular Formula | C12H18O4 |
| Molecular Weight | 226.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Diethyl 2-(2-methylbut-3-yn-2-yl)malonate (CAS 21079-27-6), a certified reference material (molecular formula C12H18O4, MW 226.27 g/mol) for analytical method development and quality control.
The molecular framework of Diethyl 2-(2-methylbut-3-yn-2-yl)malonate (C12H18O4) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. 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 high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C12H18O4 |
| Molecular Weight | 226.27 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
Related Diethyl Standards
- Diethyl cyclohex-4-ene-1,2-dicarboxylate (CAS 13043-60-2)
- Diethyl 2-(bicyclo[1.1.1]Pentan-1-yl)malonate (CAS 131515-32-7)
- 1,1-diethyl cyclohex-3-ene-1,1-dicarboxylate (CAS 38511-09-0)
- 1,2-Diethyl (1R,2S)-rel-cyclohex-4-ene-1,2-dicarboxylate (CAS 4841-85-4)
- Diethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate (CAS 5048-50-0)
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Recommended Standards
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- 2,6-Dimethyl-1-heptene (CAS 3074-78-0)
- (1s)-1-(4-Methoxy-3-methylphenyl)ethan-1-ol (CAS 1568043-03-7)
- Methyl 1-(2-chlorophenyl)cyclobutane-1-carboxylate (CAS 1820684-96-5)
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