8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one CAS 141106-39-0

Purity 97%+In StockPharmaceutical Standards
CAS No.141106-39-0
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one CAS 141106-39-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 190.24 g/mol gives 8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one (CAS 141106-39-0), molecular formula C12H14O2 and molecular weight 190.24 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one (C12H14O2) 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 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.

As a certified reference material (CRM), 8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-one 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 FormulaC12H14O2
Molecular Weight190.24 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1997

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