106139-40-6

Basic information

• Product Name: VINYL-13C2 ACETATE
• Synonyms: VINYL-13C2 ACETATE;VINYL-13C2 ACETATE, 99 ATOM % 13C
• CAS NO: 106139-40-6
• Molecular Formula: C4H6O2
• Molecular Weight: 88.11
• Product Categories: Alphabetical Listings;Stable Isotopes;U-Z
• Mol File: 106139-40-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: -93 °C(lit.)
• Boiling Point: 72-73 °C(lit.)
• Flash Point: 20 °F
• Appearance: /
• Density: 0.956 g/mL at 25 °C
• Refractive Index: n20/D 1.395(lit.)
• Storage Temp.: 2-8°C
• CAS DataBase Reference: VINYL-13C2 ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: VINYL-13C2 ACETATE(106139-40-6)
• EPA Substance Registry System: VINYL-13C2 ACETATE(106139-40-6)

Safety Data

• Hazard Codes: F,T
• Statements: 11-23-36/37-40
• Safety Statements: 16-23-36/37/39-45
• RIDADR: UN 1301 3/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 106139-40-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3/i1+1,3+1

Upstream product

• 108-24-7 acetic anhydride 
• 35121-31-4 ⁽¹³⁾C₂-acetylene 
• 64-19-7 acetic acid 

Relevant articles and documents

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Norticyclic-Norbornenyl Cation. Isotopic Perturbation and Isotopic Scrambling

The stable carbocation which is formed from either 3-nortricyclyl or norbornenyl precursors was studied with the deuterium isotopic perturbation method. 13C NMR signals from the two carbons, expected to be videly split by isotopic perturbation if an equilibrium exist between rapidly interconverting norbornenyl structures, showed only a small, temperature-independentsplitting.It was concluded that a maximum of ca. 1percent of the equilibrating norbornenyl ions might be present.A single structure (nortricyclyl with extensive charge delocalization) adequately represents the cation.This is verified by di-13C-labeled cation precursor, which also provides the complete set of J12 13C-13C coupling constants.NMR spectra of the deuteriated ion and of 1,7-di-13C-labeled ion revealed that the cation is undergoing at least three different scrambling processes below 0 deg C.The spectra show that the fastest process involves reversible skeletal rearrangement to the bicycloheptenyl cation.A still slower process including a hydride shift also occurs.The observed rearrangements ultimately result in complete scrambling of all carbons and hydrogens in the cation.