1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate CAS 22539-80-6

Purity 97%+In StockPharmaceutical Standards
CAS No.22539-80-6
Molecular FormulaC12H20O4
Molecular Weight228.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate CAS 22539-80-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 228.28 g/mol gives 1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate (CAS 22539-80-6), a certified reference material (molecular formula C12H20O4, MW 228.28 g/mol) for analytical method development and quality control.

Structurally, 1,3-Diethyl 2-(3-methylbut-2-en-1-yl)propanedioate (C12H20O4) contains a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 228.28 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 FormulaC12H20O4
Molecular Weight228.28 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1963

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