(3R,3AS,5R,7aR)-3-ethoxy-2,5-dimethyloctahydro-1H-isoindol-1-one CAS 116072-16-3

Purity 97%+In StockPharmaceutical Standards
CAS No.116072-16-3
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3R,3AS,5R,7aR)-3-ethoxy-2,5-dimethyloctahydro-1H-isoindol-1-one CAS 116072-16-3 chemical structure

Description

The occurrence of (3R,3AS,5R,7aR)-3-ethoxy-2,5-dimethyloctahydro-1H-isoindol-1-one is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(3R,3AS,5R,7aR)-3-ethoxy-2,5-dimethyloctahydro-1H-isoindol-1-one (CAS 116072-16-3), molecular formula C12H21NO2 and molecular weight 211.30 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (3R,3AS,5R,7aR)-3-ethoxy-2,5-dimethyloctahydro-1H-isoindol-1-one (C12H21NO2) contains an amino-acid-derived structure, an amide 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 211.30 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

CATO manufactures (3R,3AS,5R,7aR)-3-ethoxy-2,5-dimethyloctahydro-1H-isoindol-1-one under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
AppearanceWhite 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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1990
Nitrogen Atoms1

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