2-Butynedioic acid di-tert-butyl ester 66086-33-7 Di-tert-butyl 2-butynedioate Di-tert-butyl acetylenedicarboxylate CAS 66086-33-7

Purity 97%+In StockPharmaceutical Standards
CAS No.66086-33-7
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Butynedioic acid di-tert-butyl ester 66086-33-7 Di-tert-butyl 2-butynedioate Di-tert-butyl acetylenedicarboxylate CAS 66086-33-7 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 226.27 g/mol gives 2-Butynedioic acid di-tert-butyl ester 66086-33-7 Di-tert-butyl 2-butynedioate Di-tert-butyl acetylenedicarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-Butynedioic acid di-tert-butyl ester 66086-33-7 Di-tert-butyl 2-butynedioate Di-tert-butyl acetylenedicarboxylate (CAS 66086-33-7) is a high-purity analytical reference standard with the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol.

Based on its molecular formula C12H18O4, 2-Butynedioic acid di-tert-butyl ester 66086-33-7 Di-tert-butyl 2-butynedioate Di-tert-butyl acetylenedicarboxylate contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 226.27 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

As a certified reference material (CRM), 2-Butynedioic acid di-tert-butyl ester 66086-33-7 Di-tert-butyl 2-butynedioate Di-tert-butyl acetylenedicarboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
AppearanceOff-white to pale yellow crystalline powder
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)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1975

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