141305-26-2

Basic information

• Product Name: C₁₂H₁₁⁽²⁾H₅O
• CAS NO: 141305-26-2
• Molecular Weight: 181.219
• Mol File: 141305-26-2.mol

Chemical Properties

• CAS DataBase Reference: C₁₂H₁₁⁽²⁾H₅O(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₂H₁₁⁽²⁾H₅O(141305-26-2)
• EPA Substance Registry System: C₁₂H₁₁⁽²⁾H₅O(141305-26-2)

Safety Data

• Hazardous Substances Data: 141305-26-2(Hazardous Substances Data)

Upstream product

• 39058-44-1 1-(Phenyl)butan-1-one 
• 75-03-6 ethyl iodide 

Relevant articles and documents

Is the McLafferty Rearrangement of Ketones Concerted or Stepwise? The Application of Kinetic Isotope Effects

Intramolecular 13C and 2H isotope effects have been measured for unimolecular losses of ethene (the McLafferty rearrangement) from metastable molecular ions of 2-ethyl-1-phenylbutan-1-one, 3-ethylpentan-2-one and heptan-4-one.Primary and secondary deuterium isotope effects are observed at the γ-(terminal) and β-positions, respectively.Large primary 13C isotope effects occur at β-positions and for the γ positions of 3-ethylpentan-2-one and heptan-4-one.The carbon isotope effects in the cases of the doubly isotopically labelled CH3COCH(C2H5)((13)CH2CH3) and CD3COCD(C2D5)((13)CD2CD3) are 1.17 (+/-0.01) and 1.04 (+/-0.01), respectively.All of these isotope effects are consistent with a stepwise mechanism in which more than one step is rate determining.