998-83-4

Basic information

• Product Name: 1,5-Hexadien-3-one, 5-methyl-
• CAS NO: 998-83-4
• Molecular Formula: C7H10O
• Molecular Weight: 110.156
• Mol File: 998-83-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1,5-Hexadien-3-one, 5-methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,5-Hexadien-3-one, 5-methyl-(998-83-4)
• EPA Substance Registry System: 1,5-Hexadien-3-one, 5-methyl-(998-83-4)

Safety Data

• Hazardous Substances Data: 998-83-4(Hazardous Substances Data)

Usage

Physical state

Colorless to pale yellow liquid

Odor

Strong, sweet, minty, and fruity

Derivation

Derived from acetone through an aldol condensation reaction

Applications

a. Flavoring and fragrance agent in food and cosmetic industries
b. Solvent for paints, varnishes, and other coatings
c. Used in the production of various chemicals
d. Manufacturing of pharmaceuticals and agricultural products

Upstream product

• 17123-61-4 5-methyl-1,5-hexadiene-3-ol 
• 22414-16-0 5-methyl-5-hexen-2-yn-1-ol 

Downstream Products

• 623-56-3 5-methyl-3-hexanone 
• 32853-30-8 Methyl 5-methyl-5-hexenoate 
• 41414-48-6 4-Methyl-bicyclo[2.1.1]hexan-2-one 
• 41414-48-6 4-Methylbicyclo<2.1.1>hexan-2-on 

Relevant articles and documents

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Oxidation of substituted 1,5-hexadien-3-ols with various oxidants

Substituted 1,5-hexadien-3-ols were synthesized by the [2,3]-Wittig rearrangement of unsymmetrical bis-allyl ethers, as well as by reactions of 1-(2-alkenyl)-2-chloromethyloxiranes with Mg/THF. The products were oxidized with pyridinium chlorochromate (PCC), zinc chlorochromate (ZCC), tert-butyl hydroperoxide in the presence of OsO4, and tert-butyl hydroperoxide alone. The oxidation of substituted 1,5-hexadien-3-ols with PCC and ZCC gave the corresponding carbonyl compounds. In the reaction with tert-butyl hydroperoxide catalyzed by OsO4 the internal double bond in the substrate was regioselectively converted into epoxy group, whereas allylic oxidation was prevented.