2230-70-8

Basic information

• Product Name: 2,4,4-Trimethylcyclohexanone
• Synonyms: 2,4,4-Trimethylcyclohexanone
• CAS NO: 2230-70-8
• Molecular Formula: C₉H₁₆O
• Molecular Weight: 140.2227
• Mol File: 2230-70-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 32.57°C (estimate)
• Boiling Point: 190.85°C
• Flash Point: 58.5°C
• Appearance: /
• Density: 0.9020
• Vapor Pressure: 0.526mmHg at 25°C
• Refractive Index: 1.4493
• CAS DataBase Reference: 2,4,4-Trimethylcyclohexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,4-Trimethylcyclohexanone(2230-70-8)
• EPA Substance Registry System: 2,4,4-Trimethylcyclohexanone(2230-70-8)

Safety Data

• Hazardous Substances Data: 2230-70-8(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Journal of the American Chemical Society, 86, p. 3068, 1964 DOI: 10.1021/ja01069a019

InChI:InChI=1/C9H16O/c1-7-6-9(2,3)5-4-8(7)10/h7H,4-6H2,1-3H3

Upstream product

• 64-18-6 formic acid 
• 503-46-8 1,5,5-trimethylcyclohexene 
• 13395-71-6 2,4,4-trimethyl-2-cyclohexenone 
• 4255-62-3 4,4-dimethylcyclohexane-1-one 
• 13395-73-8 4,4,6-trimethylcyclohex-2-en-1-one 
• 814-78-8 3-Methyl-3-buten-2-one 
• 201230-82-2 carbon monoxide 
• 38441-63-3 2,4,4-Trimethyl-2,5-cyclohexadien-1-on 
• 90676-26-9 2,4,4-Trimethyl-cyclohexanol 
• 74-88-4 methyl iodide 
• 63184-86-1 2,6,6-trimethylcyclohexane-1,3-dione 
• 78-59-1 3,5,5-Trimethylcyclohex-2-en-1-one 
• 91212-95-2 4-Acetoxy-1,1,3-trimethyl-cyclohexan 
• 134736-79-1 (+/-)-2,4,4-Trimethyl-2-cyclohexenyl acetate 

Downstream Products

• 33858-67-2 C₁₇H₂₈N₃O₂P 
• 122228-60-8 lavanducyanin 3 
• 103985-40-6 (2,4,4-trimethyl-1-cyclohexen-1-yl)methanol 
• 471-04-5 4,4-dimethyl-6-oxo-heptanoic acid 

Relevant articles and documents

Total Syntheses of Pyocyanin, Lavanducyanin, and Marinocyanins A and B

Total syntheses of pyocyanin, lavanducyanin, and marinocyanins A and B have been accomplished. The N-substituted phenazin-1-one skeleton, a common framework of these natural products, was constructed through the oxidative condensation of pyrogallol with N-substituted benzene-1,2-diamine under an oxygen atmosphere in a single step. Regioselective bromination with N-bromosuccinimide at the C-2 position of N-alkylated phenazin-1-ones afforded brominated natural products.

Use of cyclic ketones in perfumery

PCT No. PCT/IB97/01092 Sec. 371 Date May 13, 1998 Sec. 102(e) Date May 13, 1998 PCT Filed Sep. 12, 1997 PCT Pub. No. WO98/13447 PCT Pub. Date Apr. 2, 1998The compounds of formula in which R stands for a methyl or ethyl group, are used as perfume ingredien

Halides-based electrophiles mediated epoxide ring-opening reactions of α,β-epoxysulfoxides in C6-series : Deoxygenation versus dehydration and an overall 1,2-keto transposition

New syntheses of α-thiosubstituted carbonyl compounds with the carbonyl carbon being the one that originally does not carry the sulfoxide group from six-membered ring α,β-epoxysulfoxides and several halides-based electrophiles are described. Mechanistic considerations for deoxygenation as well as dehydration reactions are also discussed. In addition, methodology for achieving 1,2-carbonyl transposition starting with isomerically pure cyclohexenyl sulfides derived from isophorone and cholestan-3-one is briefly reported.