41436-46-8

Basic information

• Product Name: 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethanone
• Synonyms: Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
• CAS NO: 41436-46-8
• Molecular Formula: C₁₁H₁₆O
• Molecular Weight: 164.2441
• Mol File: 41436-46-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 238.7°C at 760 mmHg
• Flash Point: 91.9°C
• Density: 0.919g/cm³
• Vapor Pressure: 0.0417mmHg at 25°C
• Refractive Index: 1.472
• CAS DataBase Reference: 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethanone(41436-46-8)
• EPA Substance Registry System: 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethanone(41436-46-8)

Safety Data

• Hazardous Substances Data: 41436-46-8(Hazardous Substances Data)

Upstream product

• 471-90-9 2,6,6-trimethyl-cyclohex-1-enecarboxylic acid 
• 1197-92-8 1-(2,6,6-trimethyl-cyclohex-1-enyl)-ethanone 
• 116-26-7 safranal 
• 102676-97-1 1-(2,6,6-trimethyl-1,3-cyclohexadienyl)ethanol 
• 58254-15-2 (3-Brom-2,6,6-trimethylcyclohex-1-en-1-yl)-methyl-keton 

Downstream Products

• 19620-37-2 (+/-)-4-hydroxy-2,6,6-trimethyl-2-cyclohexenone 
• 41436-47-9 9-hydroxymegastigma-3,5-dien-7-one 
• 23726-93-4 Damascenon 

Relevant articles and documents

Photochemical Reactions. 145th Communication. Carbonyl vs. Epoxyketone Photochemistry: Photolysis of 1,2;3,4-Diepoxy-2,6,6-trimethyl-1-cyclohexyl Methyl Ketone

The synthesis and photolysis of the title compound 3 is described.Irradiation (λ > 280 nm, MeCN) of the di-epoxyketone 3 leads predominantly to γ-H abstraction.Cyclization furnishes the cyclobutanols 22-24, while cleavage gives compound 25, presumably via the allene-oxide intermediate 36.Further, products 27 and 28 are formed by Norrish fragmentation and by initial cleavage of the C(α)-O bond of the oxirane, respectively.The structures of the products 22-25, 27, and 28 were assigned on the basis of the spectral data of the photolysis products of the 13C-labelled diepoxyketone -3 and by X-ray analysis of the compounds 24 and 35, the latter being the p-nitrobenzoate of 22.