61865-99-4

Basic information

• Product Name: (1E)-1-[(1-methylethyl)sulfanyl]prop-1-ene
• Synonyms: (E)-Isopropyl-1-propenylsulfide
• CAS NO: 61865-99-4
• Molecular Formula: C₆H₁₂S
• Molecular Weight: 116.2245
• Mol File: 61865-99-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 145.6°C at 760 mmHg
• Flash Point: 33.1°C
• Density: 0.857g/cm³
• Vapor Pressure: 6.1mmHg at 25°C
• Refractive Index: 1.47
• CAS DataBase Reference: (1E)-1-[(1-methylethyl)sulfanyl]prop-1-ene(CAS DataBase Reference)
• NIST Chemistry Reference: (1E)-1-[(1-methylethyl)sulfanyl]prop-1-ene(61865-99-4)
• EPA Substance Registry System: (1E)-1-[(1-methylethyl)sulfanyl]prop-1-ene(61865-99-4)

Safety Data

• Hazardous Substances Data: 61865-99-4(Hazardous Substances Data)

Upstream product

• 50996-72-0 allylisopropyl sulfide 
• 61865-97-2 (Z)-isopropyl 1-propenyl sulfide 
• 75-33-2 2-propanethiol 
• 106-95-6 allyl bromide 

Relevant articles and documents

Structure-Stability Relationships in Vinyl Sulfides. I. On the Stable Conformations of Vinyl Sulfides

A thermodynamic and 13C NMR spectroscopic study of the structures of the less stable rotamers of alkyl vinyl sulfides have been performed.It has been shown that the less stable rotamer of methyl vinyl sulfide has the planar s-trans configuration and the proportion of this is about 20percent.The energy difference between the planar s-cis and s-trans is about 3.5 kJ mol-1.Ethyl vinyl sulfide is almost an equimolar mixture of the planar s-cis and s-trans conformations.The 13C NMR data showed that the p-? cojugation in the compounds that could not adopt any of the planar arrangements was decreased.In alkyl 1-propenyl sulfides, the stabilizing interaction between the methyl group and the S atom cis to each other was ca.1.8 kJ mol-1.The most probable choice for the most stable conformation of di-1-propenyl sulfides is the planar (or nearly planar) s-trans,s-trans one.