4573-05-1

Basic information

• Product Name: 1,3-Cyclohexadiene, 1,3-dimethyl-
• Synonyms: 1,3-Cyclohexadiene, 1,3-dimethyl-
• CAS NO: 4573-05-1
• Molecular Formula: C₈H₁₂
• Molecular Weight: 108.1809
• Mol File: 4573-05-1.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 137.85°C
• Flash Point: 17.8°C
• Appearance: /
• Density: 0.8373
• Vapor Pressure: 9.52mmHg at 25°C
• Refractive Index: 1.4776
• CAS DataBase Reference: 1,3-Cyclohexadiene, 1,3-dimethyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Cyclohexadiene, 1,3-dimethyl-(4573-05-1)
• EPA Substance Registry System: 1,3-Cyclohexadiene, 1,3-dimethyl-(4573-05-1)

Safety Data

• Hazardous Substances Data: 4573-05-1(Hazardous Substances Data)

Usage

Appearance

Colorless liquid

Odor

Strong floral

Physical state

Liquid

Primary use

Precursor in the production of chemicals (plastics, synthetic fibers, perfumes, and dyes)

Secondary use

Solvent in print, rubber, and leather industries

Flammability

Flammable

Health risks

Inhalation, ingestion, or contact with skin or eyes may pose health risks

Safety measures

Proper handling and storage required

InChI:InChI=1/C8H12/c1-7-4-3-5-8(2)6-7/h4,6H,3,5H2,1-2H3

Upstream product

• 917-64-6 methyl magnesium iodide 
• 1193-18-6 3-methylcyclohexen-2-one 
• 917-54-4 methyllithium 
• 110-93-0 6-Methyl-hept-5-en-2-on 
• 5435-44-9 (E)-3-Ureido-but-2-enoic acid ethyl ester 
• 74710-13-7 1,3-diamino-5,5-dimethylcyclohexane 
• 75-16-1 methylmagnesium bromide 
• 33482-80-3 5,5-dimethyl-1,3-cyclohexadiene 
• 29481-98-9 1,3-dimethyl-2-cyclohexen-1-ol 
• 23611-15-6 1-methylene-3-methyl-2-cyclohexene 
• 108-38-3 m-xylene 
• 7664-93-9 sulfuric acid 
• 62461-14-7 N'-(4,4-dimethylcyclohex-2-en-1-ylidene)-4-methylbenzenesulfonohydrazide 

Downstream Products

• 503-47-9 1,3,3-trimethyl-1-cyclohexene 
• 99191-29-4 3-ethyl-1,3-dimethyl-cyclohexene 
• 108-38-3 m-xylene 
• 3073-66-3 1,1,3-trimethylcyclohexane 
• 102943-76-0 1-ethyl-1,3,3-trimethyl-cyclohexane 
• 100395-83-3 1,1,3-trimethyl-3-propyl-cyclohexane 
• 100395-80-0 1,3-Dimethyl-1,3-diethyl-cyclohexan 
• 106038-48-6 1,1,3-Trimethyl-3-butyl-cyclohexan 

Relevant articles and documents

Isomer differentiation by tri-osmium cluster complexation of substituted 1,3-cyclohexadienes

A series of methyl- and dimethyl-substituted 1,3-cyclohexadienes have been prepared from their aromatic analogues via Birch reduction and subsequent isomerisation with Fe(CO)3 fragments. These ligands were reacted with [Os3(CO)10(CH3CN)2] to form tri-osmium decacarbonyl cluster compounds containing the η4-coordinated substituted 1,3-cyclohexadienes. The various isomers of the substituted dienes show a dramatic difference in their reactivity towards the tri-osmium cluster and it is likely that this is due to the steric interactions between the methyl substituents and the cluster framework, with this effect being more marked for the di-substituted ligands.

Regioselective Synthesis of Substituted Bicyclooct-3-ene-2,8-diones via Double Carbonylation of 1,3-Cyclohexadienes

Double carbonylation of 1,3-cyclohexadienes 1 is applied to the synthesis of substituted bicyclooct-3-ene-2,8-diones 4.The Lewis acid mediated ring enlargement of substituted cyclohexadiene complexes 2 produces the cycloheptanone alkyl allyl complexes 3 with high regioselectivity.Substituted bicyclic diketones 4 are obtained in high yields by treating the complexes 3 with carbon monoxide under pressure or by oxidative decomposition.The two carbonylation steps can also be performed in a one-pot version.