4456-99-9

Basic information

• Product Name: hexan-3-ylcyclohexane
• Synonyms: cyclohexane, (1-ethylbutyl)-; Hexan-3-ylcyclohexane
• CAS NO: 4456-99-9
• Molecular Formula: C₁₂H₂₄
• Molecular Weight: 168.319
• Mol File: 4456-99-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 217.83°C at 760 mmHg
• Flash Point: 76.598°C
• Density: 0.809g/cm³
• Vapor Pressure: 0.191mmHg at 25°C
• Refractive Index: 1.445
• CAS DataBase Reference: hexan-3-ylcyclohexane(CAS DataBase Reference)
• NIST Chemistry Reference: hexan-3-ylcyclohexane(4456-99-9)
• EPA Substance Registry System: hexan-3-ylcyclohexane(4456-99-9)

Safety Data

• Hazardous Substances Data: 4456-99-9(Hazardous Substances Data)

Upstream product

• 35216-62-7 (S)-3-phenylhexane 
• 4468-42-2 3-phenylhexane 
• 925-90-6 ethylmagnesium bromide 
• 1462-27-7 butanoyl cyclohexane 
• 20247-88-5 3-phenyl-hex-3ξ-ene 
• 62039-12-7 1-cyclohexyl-1-butanol 
• 931-50-0 cyclohexylmagnesium bromide 
• 20731-93-5 3-Phenyl-3-hexanol 
• 6092-54-2 n-hexyl chloroformate 
• 110-83-8 cyclohexene 
• 1092461-57-8 (3S)-3-phenylhexan-1-ol 

Relevant articles and documents

Alkylation of alkenes: Ethylaluminum sesquichloride-mediated hydro-alkyl additions with alkyl chloroformates and di-tert-butylpyrocarbonate

A general method for the hydro-alkyl addition to the nonactivated C=C double bond of alkenes using alkyl chloroformates (primary, secondary), 12, and di-tert-butylpyrocarbonate, 52, mediated by ethylaluminum sesquichloride (Et3Al2Cl3) has been developed. Reaction of 12 and 52, respectively, with Et3Al2Cl3 gives an alkyl cation which is added to the alkene; hydride transfer to the adduct carbenium ion or, if applicable, 1,2-H shift followed by hydride transfer from Et3Al2Cl3 to the rearranged adduct carbenium ion gives the saturated addition product. The reaction has been applied to 1-alkenes, 2-methyl-1-alkenes, internal double bonds, and to three cyclic alkenes. Special interest has been focused on alkylations of unsaturated fatty compounds, such as oleic acid (2), which are important renewable feedstocks. 2-Methylalkanes, 3-methylalkanes, 2,4-dimethylalkanes, 2,3-dimethylalkanes, 2,2,4-trimethylalkanes, cyclohexylalkanes, and carboxylic acids and esters with the respective branched alkyl chain have been synthesized with good to moderate yields.