3-(tert-Butyl)-6-isopropylcyclohexa-3,5-diene-1,2-dione CAS 168331-80-4

Purity 97%+In StockPharmaceutical Standards
CAS No.168331-80-4
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(tert-Butyl)-6-isopropylcyclohexa-3,5-diene-1,2-dione CAS 168331-80-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 206.28 g/mol gives 3-(tert-Butyl)-6-isopropylcyclohexa-3,5-diene-1,2-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-(tert-Butyl)-6-isopropylcyclohexa-3,5-diene-1,2-dione (CAS 168331-80-4), molecular formula C13H18O2 and molecular weight 206.28 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-(tert-Butyl)-6-isopropylcyclohexa-3,5-diene-1,2-dione (C13H18O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 206.28 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 3-(tert-Butyl)-6-isopropylcyclohexa-3,5-diene-1,2-dione 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 FormulaC13H18O2
Molecular Weight206.28 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2005

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