1541-33-9

Basic information

• Product Name: 3-METHYL-1,5-HEXADIENE
• Synonyms: 3-METHYL-1,5-HEXADIENE;3-methylhexa-1,5-diene
• CAS NO: 1541-33-9
• Molecular Formula: C₇H₁₂
• Molecular Weight: 96.17
• Mol File: 1541-33-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 81.3°Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 0.714g/cm³
• Vapor Pressure: 91.7mmHg at 25°C
• Refractive Index: 1.417
• CAS DataBase Reference: 3-METHYL-1,5-HEXADIENE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-METHYL-1,5-HEXADIENE(1541-33-9)
• EPA Substance Registry System: 3-METHYL-1,5-HEXADIENE(1541-33-9)

Safety Data

• Hazardous Substances Data: 1541-33-9(Hazardous Substances Data)

Usage

General Description

3-Methyl-1,5-hexadiene is a chemical compound with the molecular formula C7H12. It is a colorless, flammable liquid that is insoluble in water. 3-METHYL-1,5-HEXADIENE is commonly used in organic synthesis and as a building block for the production of various chemical products. It is also used as a reagent in the production of pharmaceuticals, flavors, and fragrances. Its structure consists of a six-carbon chain with a methyl group attached to the third carbon, and two double bonds between the first and second and the fourth and fifth carbon atoms. The compound is highly reactive and can undergo various chemical reactions, making it an important intermediate in the synthesis of complex organic molecules.

InChI:InChI=1/C7H12/c1-4-6-7(3)5-2/h4-5,7H,1-2,6H2,3H3

Upstream product

• 1541-23-7 hepta-1,5-diene 
• 563-52-0 2-chloro-3-butene 
• 2622-05-1 allylmagnesium bromide 
• 591-97-9 1-chloro-2-butene 
• 1730-25-2 allylmagnesium bromide 
• 60-29-7 diethyl ether 
• 106-95-6 allyl bromide 
• 4894-61-5 trans-but-2-enyl chloride 
• 7736-34-7 cis-Hepta-1,5-dien 
• 7736-22-3 (E)-hepta-1,5-diene 
• 107-05-1 3-chloroprop-1-ene 
• 556-56-9 allyl iodid 
• 4784-77-4 (E/Z)-crotyl bromide 
• 7429-90-5 aluminium 

Downstream Products

• 1541-23-7 hepta-1,5-diene 
• 7736-34-7 cis-Hepta-1,5-dien 
• 76588-96-0 (1'-methyl-2'-propenyl)cyclopropane 
• 76588-95-9 trans-1-methyl-2-(2'-propenyl)cyclopropane 
• 76588-97-1 cis-1-methyl-2-(2'-propenyl)cyclopropane 
• 7736-22-3 (E)-hepta-1,5-diene 

Relevant articles and documents

Photochemistry of Alkenes. 6. Direct Irradiation of 1,5-Hexadienes: and Sigmatropic Allyl Shifts

The photochemical behavior of a series of alkyl-substituted 1,5-hexadienes has been studied.Competing allylcyclopropane formation and rearrangement to an isomeric 1,5-hexadiene via competing and sigmatropic allyl shifts, respectively, were observed.In one case a product (30 from 27) and in another a product (35 from 31) was obtained, but only in low yield.Extensive cis trans isomerization competed with the allyl shifts, and, in addition, other products were obtained which are characteristic of the photochemical behavior of isolated double bonds.At low conversion diene 10t underwent stereoselective rearrangement to 8t and 11t, whereas the cis isomer 10c afforded mixtures of the cis and trans isomers of 8 and 11.Attempts to induce the allyl migrations by sensitization with p-xylene or by irradiation at 254 nm afforded only cis trans isomerization.It is concluded that the allyl migrations occur via an excited state involving interaction between the double bonds and requiring a conformation in which the central C3-C4 bond is in a plane orthogonal to both double bonds, as proposed previously.In contrast with the acyclic dienes, 1,5-cyclooctadiene (50) afforded products 51-53 from competing , , and allyl shifts, respectively.The divergent behavior in this case apparently arises because appropriate interaction between the two double bonds can occur only in the boat conformation.