684-94-6

Basic information

• Product Name: 3,4-Dimethyl-3-penten-2-one
• Synonyms: 3,4-Dimethyl-3-penten-2-one
• CAS NO: 684-94-6
• Molecular Formula: C₇H₁₂O
• Molecular Weight: 112.1696
• Mol File: 684-94-6.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 159.3°Cat760mmHg
• Flash Point: 47.3°C
• Appearance: /
• Density: 0.834g/cm³
• Vapor Pressure: 2.52mmHg at 25°C
• Refractive Index: 1.423
• CAS DataBase Reference: 3,4-Dimethyl-3-penten-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Dimethyl-3-penten-2-one(684-94-6)
• EPA Substance Registry System: 3,4-Dimethyl-3-penten-2-one(684-94-6)

Safety Data

• Hazardous Substances Data: 684-94-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H12O/c1-5(2)6(3)7(4)8/h1-4H3

Upstream product

• 684-02-6 4-chloro-3,4-dimethyl-2-pentanone 
• 513-35-9 2-methyl-but-2-ene 
• 108-24-7 acetic anhydride 
• 121-69-7 N,N-dimethyl-aniline 
• 75-36-5 acetyl chloride 
• 109-66-0 pentane 
• 141-79-7 4-methyl-pent-3-en-2-one 
• 60-29-7 diethyl ether 
• 14593-46-5 sodium tert-pentoxide 
• 77-78-1 dimethyl sulfate 
• 71-43-2 benzene 
• 83810-21-3 acide acetylsulfoacetique 
• 7446-70-0 aluminium trichloride 
• 7646-78-8 tin(IV) chloride 

Downstream Products

• 18456-85-4 4,5,5-trimethyl-cyclohexane-1,3-dione 
• 67-64-1 acetone 
• 78-93-3 butanone 
• 1353035-81-0 C₁₉H₂₄O₆ 
• 112-54-9 Dodecanal 

Relevant articles and documents

Cassis and Green Tea: Spontaneous Release of Natural Aroma Compounds from β-Alkylthioalkanones

In depth headspace analysis of the slow degradation of β-alkylthioalkanones in ambient air led to the discovery of a novel δ-cleavage pathway, by which β-mercaptoketones are released. Since β-mercaptoketones are potent natural aroma compounds occurring in many fruits, herbs and flowers, the discovery of an enzyme-independent molecular precursor for this class of high-impact molecules is of practical importance. Moreover, the formation of β-diketones and aldehydes by concomitant oxidation at the α-sulfur-position enhances the versatility of this class of aroma precursors. A mechanistic model is proposed which suggests that the oxidative degradation occurs through a novel Pummerer-type rearrangement of initially formed persulfoxides.

Halogen Epoxides, 7. Rearrangements during the Reaction of Substituted 2-Chloro- and 2,3-Dichlorooxiranes with Silver Tetrafluoroborate

Reactions of tert-butyl-substituted and of isopropyl-substituted chlorooxiranes with silver tetrafluoroborate have been examined.Dehalogenations in the 2-positions of 2-chloro-2-tert-butyl- (5) and of 2-chloro-2-isopropyl-substituted oxiranes (35) occurred without changes of the carbon skeletons.By contrast, dehalogenations in the 2-positions of 2-chloro-3-tert-butyl- (12) and of 2-chloro-3-isopropyloxiranes (35) afforded partly rearranged products by 1,2-methyl- and/or 1,2-hydride shifts to the corresponding α-ketocarbenium ions.

Substitution and Elimination Reactions via One Electron Transfer Process. A New Olefin Synthesis from β-Nitro Sulfones

gem-Bromonitro compounds or gem-dinitro compounds couple with carbanions derived from α-cyano sulfones or α-carbonyl sulfones to give β-nitro sulfones.The nitro and sulfonyl groups are eliminated from the coupling products on treatment with reductive one electron transfer reagents to give α,β-unsaturated carbonyl compounds or nitriles.