3-Oxo-1,3-dihydroisobenzofuran-1-yl butyrate CAS 108761-29-1

Purity 97%+In StockPharmaceutical Standards
CAS No.108761-29-1
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Oxo-1,3-dihydroisobenzofuran-1-yl butyrate CAS 108761-29-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 220.22 g/mol gives 3-Oxo-1,3-dihydroisobenzofuran-1-yl butyrate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Oxo-1,3-dihydroisobenzofuran-1-yl butyrate (CAS 108761-29-1), molecular formula C12H12O4 and molecular weight 220.22 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-Oxo-1,3-dihydroisobenzofuran-1-yl butyrate (C12H12O4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 220.22 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.

As a certified reference material (CRM), 3-Oxo-1,3-dihydroisobenzofuran-1-yl butyrate 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 FormulaC12H12O4
Molecular Weight220.22 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988

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