ChemicalBook Product Catalog Organic Chemistry Hydrocarbons and derivatives Acyclic hydrocarbons 3-METHYLHEXANE

3-METHYLHEXANE

3-METHYLHEXANE Basic information
Product Name:3-METHYLHEXANE
Synonyms:3-Methylhexane,99%;3-METHYLHEXANE REFERENCE SUBSTANCE FOR G;3-METHYLHEXANE;ETHYLMETHYLPROPYLMETHANE;3-Methylhexane(undefinedopticalisomer);hexane,3-methyl-;1-ETHYL-1-PROPYLETHANE;Methylhexane,95%
CAS:589-34-4
MF:C7H16
MW:100.2
EINECS:209-643-3
Product Categories:Organic Building Blocks;Acyclic;Alkanes;Organic Building Blocks;Building Blocks;Chemical Synthesis
Mol File:589-34-4.mol
3-METHYLHEXANE Structure
3-METHYLHEXANE Chemical Properties
Melting point −119 °C(lit.)
Boiling point 91 °C(lit.)
density 0.687 g/mL at 25 °C(lit.)
vapor pressure 2.13 psi ( 37.7 °C)
refractive index n20/D 1.388(lit.)
Fp 25 °F
solubility Soluble in acetone, alcohol, benzene, chloroform, ligroin, and ether (Weast, 1986). Miscible with liquid aliphatic hydrocarbons.
form clear liquid
color Colorless to Almost colorless
explosive limit~7%
Odor Threshold0.84ppm
Water Solubility 2.64mg/L(25 ºC)
BRN 1718739
Henry's Law Constant2.38 at 25 °C (Mackay and Shiu, 1981)
LogP4.118 (est)
CAS DataBase Reference589-34-4(CAS DataBase Reference)
EPA Substance Registry System3-Methylhexane (589-34-4)
Safety Information
Hazard Codes F,Xn,N
Risk Statements 11-38-50/53-65-67
Safety Statements 9-16-29-33-60-61-62
RIDADR UN 1206 3/PG 2
WGK Germany 1
Autoignition Temperature536 °F
HS Code 2901.10.5000
HazardClass 3.1
PackingGroup II
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
3-METHYLHEXANE Usage And Synthesis
Chemical PropertiesCLEAR COLOURLESS LIQUID
Physical propertiesClear, colorless liquid with an odor similar to hexane. An odor threshold concentration of 840 ppbv was reported by Nagata and Takeuchi (1990).
UsesOrganic synthesis, oil extender solvent.
Uses3-Methylhexane can be used as a model alkane to study:
  • Cu-catalyzed hydrocarboxylation of simple alkanes to corresponding branched monocarboxylic acids in aqueous medium at low-temperature.
  • Au-catalyzed oxygenation of alkanes with H2O2 in acetonitrile.
  • FeCI3 catalyzed photooxygenation of simple alkanes to corresponding alcohols in presence of atmospheric O2.

DefinitionChEBI: 3-methylhexane is an alkane that is hexane substituted by a methyl group at position 3. It has a role as a human metabolite. It is an alkane and a volatile organic compound.
HazardFlammable, dangerous fire risk.
SourceSchauer et al. (1999) reported 3-methylhexane in a diesel-powered medium-duty truck exhaust at an emission rate of 310 μg/km.
California Phase II reformulated gasoline contained 3-methylhexane at a concentration of 16.2 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 2.95 and 415 mg/km, respectively (Schauer et al., 2002).
Environmental fatePhotolytic. Based on a reported photooxidation reaction rate constant of 7.20 x 10-12 cm3/molecule?sec with OH radicals, the half-life of 3-methylhexane is 20 h (Altshuller, 1990).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 3- Methylhexane will not hydrolyze because it does not contain a hydrolyzable functional group.
Purification MethodsPurify it as for 2-methylhexene. [Beilstein 1 IV 399.]
3-METHYLHEXANE Preparation Products And Raw materials
Preparation Products3-METHYL-3-HEXANOL-->2,4-DIMETHYLPENTANE-->2-Methylhexane-->2-METHYLHEPTANE
2,3-Epoxy-2-methylhexane (-)-TRANS-MYRTANOL 1,2,3,4,5,6-HEXAMETHYLBICYCLO[2.2.0]HEXA-2,5-DIENE METHYL O-METHYLPODOCARPATE (-)-CIS-MYRTANYLAMINE 1,2-Epoxy-3-methylhexane (2-BROMOETHYL)TRIMETHYLSILANE PENTAFLUOROPHENYLETHOXYDIMETHYLSILANE PERHYDROFLUORENE AURORA KA-477 PINONIC ACID 2-CARENE cis-VERBENOL beta-Pinene DL-ISOPINOCAMPHEOL BIS(PENTAFLUOROPHENYL)DIMETHYLSILANE 2-METHYLOCTANE PHENYLETHYNYL TRIMETHYLSILANE
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