590-73-8

Basic information

• Product Name: 2,2-DIMETHYLHEXANE
• Synonyms: Hexane, 2,2-dimethyl-;2,2-DIMETHYLHEXANE 99%;2,2,5-Trimethylpentane;NSC 174065;2,2-DIMETHYLHEXANE;n-Butyltrimethylmathane;N-BUTYLTRIMETHYLMETHANE;(CH3)3C(CH2)3CH3
• CAS NO: 590-73-8
• Molecular Formula: C₈H₁₈
• Molecular Weight: 114.23
• EINECS: 209-689-4
• Product Categories: Acyclic;Alkanes;Organic Building Blocks
• Mol File: 590-73-8.mol
• Article Data: 15

Chemical Properties

• Melting Point: -121.1℃
• Boiling Point: 107 °C(lit.)
• Flash Point: 26 °F
• Appearance: /
• Density: 0.693 g/mL at 25 °C(lit.)
• Vapor Pressure: 1.22 psi ( 37.7 °C)
• Refractive Index: n20/D 1.393(lit.)
• Water Solubility: 0.2mg/L(temperature not stated)
• BRN: 1696861
• CAS DataBase Reference: 2,2-DIMETHYLHEXANE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2-DIMETHYLHEXANE(590-73-8)
• EPA Substance Registry System: 2,2-DIMETHYLHEXANE(590-73-8)

Safety Data

• Hazard Codes: F,Xn,N
• Statements: 11-38-50/53-65-67
• Safety Statements: 9-16-29-33-60-61-62
• RIDADR: UN 3295 3/PG 2
• WGK Germany: 3
• HazardClass: 3.1
• PackingGroup: II
• Hazardous Substances Data: 590-73-8(Hazardous Substances Data)

Usage

General Description

2,2-Dimethylhexane is one of the products of the corona discharge of a simulated Titan′s atmosphere (2% argon in nitrogen and 10% methane) at 500 Torr and 298 K (using GC-FTIR-MS techniques). It was used to study the adsorption of linear and branched alkanes on a microporous silicoaluminophosphate material (SAPO-5) using chromatographic techniques.

Purification Methods

Dry the hexane over type 4A molecular sieves and distil it. [Beilstein 1 IV 432.]

InChI:InChI=1/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3

Upstream product

• 917-64-6 methyl magnesium iodide 
• 4398-65-6 2-chloro-2-methylhexane 
• 111-65-9 octane 
• 753-89-9 neopentyl chloride 
• 15790-54-2 propyl sodium 
• 507-20-0 tertiary butyl chloride 
• 1119-90-0 di-n-butylzinc 
• 106-98-9 1-butylene 
• 4032-86-4 3,3-dimethyl-heptane 
• 75-28-5 Isobutane 
• 693-03-8 n-butyl magnesium bromide 
• 507-19-7 t-butyl bromide 
• 110-53-2 1-Bromopentane 
• 56-81-5 glycerol 

Downstream Products

• 79-29-8 2,3-dimethylbutane 
• 108-38-3 m-xylene 
• 106-42-3 para-xylene 
• 100-41-4 ethylbenzene 
• 108-88-3 toluene 
• 95-47-6 o-xylene 
• 71-43-2 benzene 
• 590-66-9 1,1-dimethylcyclohexane 
• 14272-73-2 5,5-dimethyl-2-hexanone 
• 5405-79-8 2,2,-dimethylhexan-3-one 
• 5340-30-7 5,5-dimethyl-3-hexanone 

Relevant articles and documents

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Single Electron Transfer in the reaction of an alkyl iodide with LiAlH4 and LiAlD4 in the absence of a halogen atom radical chain process

Reactions of the noncyclizable alkyl iodide, 1-iodo-2,2-dimethylhexane (9), with LiAlH4 and LiAlD4 have been carried out under a variety of conditions. Although the structure of 9 prohibits a halogen atom radical chain process, deuterium incorporation studies provide convincing evidence for single electron transfer (SET) as the major reaction pathway.

IONIC LIQUID ALKYLATION OF 1-BUTENE TO PRODUCE 2,5-DIMETHYLHEXANE

A process for producing dimethylhexanes (DMH) is provided. The DMH can be used to produce p-xylene. The process involves the alkylation of isobutane and 1-butene using an ionic liquid to produce naphtha that is rich in DMH. The DMH is then converted in high selectivity to xylene, including p-xylene, by dehydrocyclization.

METHOD OF PREPARING GTBE

A process for glycerol etherification, comprising a recycle of glycerol and/or mono-ether, to produce glycerol alkyl ethers with low amount of mono-ether by reacting glycerol and olefinic hydrocarbon, and/or the corresponding aldehydes, ketones and alcohols, having 2 to 10 carbon atoms in the presence of homogeneous acid catalyst with hindered formation of olefin oligomers comprising of two essential steps: reaction step (1) neutralization and salt removal step (2).