6812-38-0

Basic information

• Product Name: N-HEXADECYLCYCLOHEXANE
• Synonyms: hexadecylcyclo-hexane;1-CYCLOHEXYLHEXADECANE;N-HEXADECYLCYCLOHEXANE;Cyclohexane, hexadecyl-;cyclohexane,hexadecyl-;hexadecane,1-cyclohexyl-;hexadecylcyclohexane
• CAS NO: 6812-38-0
• Molecular Formula: C₂₂H₄₄
• Molecular Weight: 308.58
• Mol File: 6812-38-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 33.61°C
• Boiling Point: 363.95°C (estimate)
• Flash Point: 180.7°C
• Appearance: /
• Density: 0.8033 (estimate)
• Vapor Pressure: 8.62E-06mmHg at 25°C
• Refractive Index: 1.4596
• CAS DataBase Reference: N-HEXADECYLCYCLOHEXANE(CAS DataBase Reference)
• NIST Chemistry Reference: N-HEXADECYLCYCLOHEXANE(6812-38-0)
• EPA Substance Registry System: N-HEXADECYLCYCLOHEXANE(6812-38-0)

Safety Data

• Hazardous Substances Data: 6812-38-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C22H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h22H,2-21H2,1H3

Upstream product

• 1459-09-2 1-phenylhexadecane 
• 1443733-17-2 C₂₃H₄₄O₂ 
• 3811-73-2 2-mercaptopyridine-1-oxide sodium salt 
• 112-82-3 hexadecanyl bromide 
• 544-77-4 1-iodohexadecane 
• 108-86-1 bromobenzene 
• 626-62-0 Cyclohexyl iodide 
• 71-43-2 benzene 

Relevant articles and documents

Chloroform as a hydrogen atom donor in barton reductive decarboxylation reactions

The utility of chloroform as both a solvent and a hydrogen atom donor in Barton reductive decarboxylation of a range of carboxylic acids was recently demonstrated (Ko, E. J. et al. Org. Lett. 2011, 13, 1944). In the present work, a combination of electronic structure calculations, direct dynamics calculations, and experimental studies was carried out to investigate how chloroform acts as a hydrogen atom donor in Barton reductive decarboxylations and to determine the scope of this process. The results from this study show that hydrogen atom transfer from chloroform occurs directly under kinetic control and is aided by a combination of polar effects and quantum mechanical tunneling. Chloroform acts as an effective hydrogen atom donor for primary, secondary, and tertiary alkyl radicals, although significant chlorination was also observed with unstrained tertiary carboxylic acids.