4071-18-5

Basic information

• Product Name: 2,2,4-trimethylquinolin-6-one
• Synonyms: 2,2,4-trimethylquinolin-6-one;2,2,4-Trimethyl-2,6-dihydro-6-quinolinone;2,2,4-Trimethyl-6(2H)-quinolinone;2,6-Dihydro-2,2,4-trimethyl-6-quinolone;QI;2,2,4-Trimethyl-6(2H)-quinolone;2,2,4-Trimethylquinolin-6(2H)-one
• CAS NO: 4071-18-5
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.2377
• Product Categories: Heterocycles;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals
• Mol File: 4071-18-5.mol
• Article Data: 4

Chemical Properties

• Melting Point: 43-45°C
• Boiling Point: 286.2°Cat760mmHg
• Flash Point: 115.7°C
• Appearance: /
• Density: 1.07g/cm³
• Vapor Pressure: 0.00267mmHg at 25°C
• Refractive Index: 1.566
• Storage Temp.: Amber Vial, Refrigerator, Under Inert Atmosphere
• CAS DataBase Reference: 2,2,4-trimethylquinolin-6-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,4-trimethylquinolin-6-one(4071-18-5)
• EPA Substance Registry System: 2,2,4-trimethylquinolin-6-one(4071-18-5)

Safety Data

• Hazardous Substances Data: 4071-18-5(Hazardous Substances Data)

Usage

Chemical Properties

Dark Yellow Solid

Uses

A metabolite of Ethoxyquin. An oxidation product of the antidegradant Ethoxyquin found in the muscle of Atlantic salmon

InChI:InChI=1/C12H13NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7H,1-3H3

Upstream product

• 3763-77-7 2,2,4-trimethyl-6-ethoxy-1,2-dihydroquinoline 
• 72107-05-2 2,2,4-trimethyl-6-hydroxy-1,2-dihydroquinoline 
• 6246-98-6 N,N'-diphenyl-1,4-phenylenediamine 

Relevant articles and documents

X-RAY DIFFRACTION STRUCTURAL ANALYSIS OF 2,2,4-TRIMETHYL-SUBSTITUTED 6-HYDROXY-1,2-DIHYDRO- AND 6-OXO-2,6-DIHYDROQUINOLINES

An x-ray diffraction structural analysis was carried out on 6-hydroxy-1,2-dihydro- and 6-oxo-2,6-dihydro-2,2,4-trimethylquinolines on a diffractometer using λMo radiation.The structure was solved by the direct method and refined by the anisotropic method of least squares to give R = 0.044 and 0.040.The dihydrogenated ring in the 6-hydroxy derivative is nonplanar.The length of the C-C(=C) bond (1.470 Angstroem) and the nonplanarity of the ?-systems of the C=C double bond and of the benzene ring (dihedral angle 15.4 deg) indicate less conjugation in comparison with planar molecules.

SYNTHESIS AND PROPERTIES OF DERIVATIVES OF 2,2,4-TRIMETHYL-SUBSTITUTED QUINOLINES AND SOME OF THEIR ANALOGS

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