29791-12-6

Basic information

• Product Name: 2-Propenyl,1,1-dimethyl- (9CI)
• Synonyms: Allyl,1,1-dimethyl- (6CI,8CI); 1,1-Dimethylallyl
• CAS NO: 29791-12-6
• Molecular Formula: C₅H₉
• Molecular Weight: 69.125
• Mol File: 29791-12-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: g/cm³
• CAS DataBase Reference: 2-Propenyl,1,1-dimethyl- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Propenyl,1,1-dimethyl- (9CI)(29791-12-6)
• EPA Substance Registry System: 2-Propenyl,1,1-dimethyl- (9CI)(29791-12-6)

Safety Data

• Hazardous Substances Data: 29791-12-6(Hazardous Substances Data)

Upstream product

• 89429-29-8 2-(1',1'-dimethylprop-2'-enoxy)-1,1,3,3-tetramethylisoindoline 
• 35387-63-4 3,3,6-trimethylhepta-1,5-diene 
• 7270-50-0 6-methyl-1,5-heptadiene 
• 24253-25-6 3,3-dimethyl-1,5-hexadiene 
• 57542-25-3 3-azobis(3-methyl-1-butene) 
• 57542-19-5 (E)-1-methyl-2-(2-methylbut-3-en-2-yl)diazene 
• 513-35-9 2-methyl-but-2-ene 

Downstream Products

• 78-79-5 isoprene 

Relevant articles and documents

Radical-Stabilization-Energy - the MMEVBH Force Field

Making use of the VB method of Malrieu et al. a force field has been developed, which allows to calculate heats of formation of hydrocarbons (conjugated and non-conjugated olefins, radicals and diradicals) with high accuracy.With this method radical stabilization energies (RSE) for a great number of delocalized radicals are calculated and compared with experimental values, derived from shock-tube measurements of dissociation energies or from rotational barriers of substituted olefins.A detailed analysis of the RSE with respect to structure, substituents, strain, and aromaticity is presented. - Key Words: Resonance energy / Heats of formation / Single pulse shock tube / Intrisic rotational barrier

The Reactions of t-Butoxyl with Unsaturated Hydrocarbons: Structure and Reactivity of Allylic Radicals

A radical trapping technique employing 1,1,3,3-tetramethylisoindolin-2-yloxyl (1) as scavenger has been used to study the reactions of t-butoxy radicals with propene, 2-methylpropene, but-1-ene, (E)- and (Z)-but-2-ene, 3-methylbut-1-ene, buta-1,3-diene and 2-methylbuta-1,3-diene.Relative rates of double bond addition and of allylic hydrogen abstraction have been measured and are discussed, as are the relative stabilities of the products formed.The allylic radicals generated in these systems react with (1) mainly by coupling at the more substituted terminus of the radical ? system.Substituent effects on this regioselectivity may be explained in terms of the electrophilicity of (1).