4-(5-Methyl-1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)butanoic acid CAS 5554-91-6

Purity 97%+In StockPharmaceutical Standards
CAS No.5554-91-6
Molecular FormulaC13H12O5
Molecular Weight248.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(5-Methyl-1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)butanoic acid CAS 5554-91-6 chemical structure

Description

The occurrence of 4-(5-Methyl-1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)butanoic acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 4-(5-Methyl-1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)butanoic acid (CAS 5554-91-6), a certified reference material (molecular formula C13H12O5, MW 248.23 g/mol) for analytical method development and quality control.

Structurally, 4-(5-Methyl-1,3-dioxo-1,3-dihydroisobenzofuran-4-yl)butanoic acid (C13H12O5) contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 248.23 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC13H12O5
Molecular Weight248.23 g/mol
AppearancePale yellow to yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1958

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