2979-19-3

Basic information

• Product Name: 3,3-Dimethylcyclohexanone
• Synonyms: 3,3-DIMETHYLCYCLOHEXANONE;3,3-dimethylcyclohexanoe;3,3-Dimethylcyclohexane-1-one;3,3-dimethylcyclohexan-1-one;3,3-DiMethylcyclohexanone 90%;Cyclohexanone, 3,3-dimethyl-
• CAS NO: 2979-19-3
• Molecular Formula: C₈H₁₄O
• Molecular Weight: 126.2
• EINECS: 1592732-453-0
• Product Categories: C7 to C8;Carbonyl Compounds;Ketones
• Mol File: 2979-19-3.mol
• Article Data: 62

Chemical Properties

• Melting Point: 9.25°C (estimate)
• Boiling Point: 175°C
• Flash Point: 175°C
• Appearance: /
• Density: 0.909 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.46mmHg at 25°C
• Refractive Index: n20/D 1.449(lit.)
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility: Insoluble in water.
• CAS DataBase Reference: 3,3-Dimethylcyclohexanone(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3-Dimethylcyclohexanone(2979-19-3)
• EPA Substance Registry System: 3,3-Dimethylcyclohexanone(2979-19-3)

Safety Data

• Hazard Codes: Xi
• Statements: 41-36-10
• Safety Statements: 26-38
• RIDADR: UN 1993 3/PG 3
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 3
• PackingGroup: III
• Hazardous Substances Data: 2979-19-3(Hazardous Substances Data)

Usage

Uses

An interest in the boll weevil sex attractants prompted an investigation into alternative syntheses of the starting material, 3, 3-dimethylcyclohexanone.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 3619, 1975 DOI: 10.1021/jo00912a040

InChI:InChI=1/C8H14O/c1-8(2)5-3-4-7(9)6-8/h3-6H2,1-2H3

Upstream product

• 767-12-4 3,3-dimethylcyclohexanol 
• 917-54-4 methyllithium 
• 75700-18-4 3-<(Methanesulfonyl)oxy>-2-cyclohexenone 
• 343857-15-8 (5,5-Dimethyl-7-oxa-bicyclo[4.1.0]hept-2-yl)-trimethyl-silane 
• 7647-01-0 hydrogenchloride 
• 4694-17-1 5,5-dimethlycyclohex-2-en-1-one 
• 17530-69-7 3-chloro-5,5-dimethylcyclohex-2-en-1-one 
• 24636-47-3 2-acetyl-5,5-dimethyl-cyclohexanone 
• 590-66-9 1,1-dimethylcyclohexane 
• 126-81-8 dimedone 
• 917-64-6 methyl magnesium iodide 
• 1193-18-6 3-methylcyclohexen-2-one 
• 51297-46-2 8-methyl-7-nonene-2,4-dione 
• 15466-96-3 3-isobutoxy-5,5-dimethylcyclohex-2-en-1-one 

Downstream Products

• 79802-79-2 1,3,3-trimethyl-cyclohexan-1-ol 
• 104388-06-9 cyano-(3,3-dimethyl-cyclohexyliden)-acetic acid ethyl ester 
• 36168-42-0 4,4-dimethyl-2-oxo-cyclohexanecarboxylic acid ethyl ester 
• 57559-98-5 1-ethynyl-3,3-dimethylcyclohexan-1-ol 
• 32767-46-7 methyl 4,4-dimethyl-2-oxocyclohexancarboxylate 
• 32763-60-3 (E)-4-(4,4-Dimethyl-2-oxo-cyclohexyl)-but-2-enoic acid methyl ester 
• 61592-59-4 2-acetoxy-5,5-dimethyl-cyclohexanone 
• 107153-83-3 2,6-Diacetoxy-3,3-dimethyl-cyclohexanon-⁽¹⁾ 
• 52291-22-2 3,3-dimethylcyclohexane 
• 597-43-3 2,2-dimethylsuccinic acid 
• 4839-46-7 3,3-Dimethylglutaric acid 
• 681-57-2 2,2-dimethylglutaric acid 
• 29124-40-1 1,1-Difluor-3,3-dimethyl-cyclohexan 
• 2979-12-6 2-bromo-3,3-dimethylcyclohexanone 

Relevant articles and documents

Efficient syntheses of insect sex pheromones emitted by the boll weevil and the red bollworm moth

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Reduction of α,β-unsaturated carbonyl compounds and 1,3-diketones in aqueous media, using a raney ni-al alloy

The treatment of α,β-unsaturated carbonyl compounds and 1,3-diketones with Raney Ni-Al alloy in aqueous media yielded as major reaction products the corresponding saturated alcohols and/or the corresponding hydrocarbons, in a complete transformation of the starting material.

A method for synthesis of 3, 3 - dimethyl cyclohexanone (by machine translation)

The present application relates to the field of drug synthesis, in particular, relates to 3, 3 - dimethyl cyclohexanone a synthesizing method of. The invention synthetic method mild reaction conditions, easy to enlarge production; the various reagent are on the market are easy, and the cost is low; effectively through the intermediate step of the oxidation reaction of the by-product 3, 3 - dimethyl cyclohexanol turns into the product 3, 3 - dimethyl cyclohexanone. Improves the yield, and reduces the difficulty of the purification. (by machine translation)

Catalyst-controlled aliphatic C—H oxidations

The invention provides simple small molecule, non-heme iron catalyst systems with broad substrate scope that can predictably enhance or overturn a substrate's inherent reactivity preference for sp3-hybridized C—H bond oxidation. The invention also provides methods for selective aliphatic C—H bond oxidation. Furthermore, a structure-based catalyst reactivity model is disclosed that quantitatively correlates the innate physical properties of the substrate to the site-selectivities observed as a function of the catalyst. The catalyst systems can be used in combination with oxidants such as hydrogen peroxide to effect highly selective oxidations of unactivated sp3 C—H bonds over a broad range of substrates.