2-methylpentane

2-methylpentane Basic information
Product Name:2-methylpentane
Synonyms:Kyowasol C 600M;Kyowazol C 600;NSC 66496;2-Methylpentane >=95.0% (GC);(CH3)2CH(CH2)2CH3;1,1-dimethylbutane;pentane,2-methyl-;2-METHYLPENTANE
CAS:107-83-5
MF:C6H14
MW:86.18
EINECS:203-523-4
Product Categories:Organic Building Blocks;Acyclic;Alkanes;Building Blocks;Chemical Synthesis
Mol File:107-83-5.mol
2-methylpentane Structure
2-methylpentane Chemical Properties
Melting point -154 °C (lit.)
Boiling point 62 °C (lit.)
density 0.653 g/mL at 25 °C (lit.)
vapor density 3 (vs air)
vapor pressure 6.77 psi ( 37.7 °C)
refractive index n20/D 1.371(lit.)
Fp −10 °F
storage temp. Store below +30°C.
solubility 0.14g/l
form Liquid
color Clear colorless
explosive limit1.2-7.4%(V)
Odor Threshold7ppm
Water Solubility Miscible with alcohol, ether, acetone and chloroform. Immiscible with water.
BRN 1730735
Henry's Law Constant0.697, 0.694, 0.633, 0.825, and 0.848 (atm?m3/mol)at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworth et al., 1988)
Exposure limitsACGIH TLV: TWA and STEL for all isomers except n-hexane are 500 and 1,000 ppm, respectively (adopted).
Stability:Stable. Highly flammable. Gas/vapour mixtures explosive at some concentrations.
LogP3.214 at 25℃ and pH7
CAS DataBase Reference107-83-5(CAS DataBase Reference)
EPA Substance Registry System2-Methylpentane (107-83-5)
Safety Information
Hazard Codes F,Xn,N
Risk Statements 11-38-51/53-65-67
Safety Statements 9-16-29-33-61-62
RIDADR UN 1208 3/PG 2
WGK Germany 2
RTECS SA2985000
Autoignition Temperature583 °F
TSCA Yes
HazardClass 3
PackingGroup II
HS Code 29012990
Hazardous Substances Data107-83-5(Hazardous Substances Data)
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
2-methylpentane Usage And Synthesis
Chemical Propertiescolourless liquid
Chemical Properties2-Methylpentane (isohexane), C6H14, is a flammable liquid with a specific gravity of 0.653. It occurs naturally in petroleum and gas and as a plant volatile. It is found in sources associated with petroleum products such as petroleum manufacture, natural gas, turbines, and automobiles.
Physical propertiesClear, colorless, very flammable liquid with an odor similar to hexane. An odor threshold concentration of 8.9 ppmv was reported by Nagata and Takeuchi (1990).
UsesOrganic synthesis, solvent.
Uses2-Methylpentane is employed as a raw material, rubber solvent and vegetable oil extraction solvent. It is also used as a solvent in adhesives. Further, it is used as an intermediate in organic synthesis and finds application in food, preservatives, cosmetics, pharmaceuticals, beverages and flavor enhancer.
Uses2-Methylpentane is mainly used in studies involving the functionalization of aliphatic C–H bonds using different carbene insertion processes to form C–H insertion products. The metal-free Ritter-type amination reaction of tertiary C–H bond using iodic acid as an oxidant in the presence of N-hydroxyphthalimide has also been reported.
DefinitionChEBI: 2-Methylpentane is an alkane.
Production MethodsIsohexane is manufactured by fractional distillation of gasoline derived from crude oil or liquid product derived from natural gas.
General DescriptionWatery liquid with a gasoline-like odor, Floats on water. Produces an irritating vapor.
Air & Water ReactionsHighly flammable.
Reactivity ProfileSaturated aliphatic hydrocarbons, such as ISOHEXENE, may be incompatible with strong oxidizing agents like nitric acid. Charring of the hydrocarbon may occur followed by ignition of unreacted hydrocarbon and other nearby combustibles. In other settings, aliphatic saturated hydrocarbons are mostly unreactive. They are not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents.
HazardFlammable, dangerous fire risk, reacts vig-orously with oxidizing materials.
Health HazardInhalation causes irritation of respiratory tract, cough, mild depression, cardiac arrhythmias. Aspiration causes severe lung irritation, coughing, pulmonary edema; excitement followed by depression. Ingestion causes nausea, vomiting, swelling of abdomen, headache, depression.
SourceSchauer et al. (1999) reported 2-methylpentane in a diesel-powered medium-duty truck exhaust at an emission rate of 930 μg/km.
A constituent in gasoline. Harley et al. (2000) analyzed the headspace vapors of three grades of unleaded gasoline where ethanol was added to replace methyl tert-butyl ether. The gasoline vapor concentrations of 2-methylpentane in the headspace were 9.3 wt % for regular grade, 9.8 wt % for mid-grade, and 10.4 wt % for premium grade.
Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rate of 2-methylpentane was 8.6 mg/kg of pine burned. Emission rates of 2-methylpentane were not measured during the combustion of oak and eucalyptus.
California Phase II reformulated gasoline contained 2-methylpentane at a concentration of 36.9 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 6.31 and 827 mg/km, respectively (Schauer et al., 2002).
Reported as an impurity (0.1 wt %) in 99.0–99.7 wt % 2,3-dimethylbutane (Chevron Phillips, 2004).
Environmental fatePhotolytic. When synthetic air containing gaseous nitrous acid and 2-methylpentane was exposed to artificial sunlight (λ = 300–450 nm), acetone, propionaldehyde, peroxyacetal nitrate, peroxypropionyl nitrate, and possibly two isomers of hexyl nitrate and propyl nitrate formed as products (Cox et al., 1980).
Based on a photooxidation rate constant of 5.6 x 10-12 cm3/molecule?sec for the reaction of 2- methylpentane and OH radicals, the atmospheric lifetime is 25 h (Altshuller, 1991).
Chemical/Physical: Complete combustion in air yields carbon dioxide and water vapor. 2- Methylpentane will not hydrolyze because it does not contain a hydrolyzable functional group.
Purification MethodsPurify it by azeotropic distillation with MeOH, followed by washing out the MeOH with water, drying (CaCl2, then sodium), and distilling it. [Forziati et al. J Res Nat Bur Stand 36 129 1946.]
2-methylpentane Preparation Products And Raw materials
Preparation Products6-BROMO-4-CHLOROQUINOLINE-->7-BROMO-3-TRIFLUOROMETHYL-IMIDAZO[1,2-B][1,2,4]TRIAZINE-->1-(2-CYANOPHENYL)PIPERAZINE-->6-bromoquinolin-4(3H)-one-->2,4-DIMETHOXYPYRIMIDINE-6-CARBOXYLIC ACID-->Troglitazone-->3-Pentanone, 2-methyl-, oxime-->(R)-(-)-2-Amino-1-butanol-->3,3-Dimethylpentane-->PERFLUORO-2-METHYLPENTANE-->2-METHYL-2-PENTANOL-->2,3,4-TRIMETHYLPENTANE-->8-HYDROXY-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE-->N-TERT-BUTOXYCARBONYL-4-(4-TOLUENESULFONYLOXYMETHYL)PIPERIDINE-->PERFLUOROHEXANE-->2,4-DIMETHYLPENTANE
1-(4-CHLOROPHENYL)-1-CYCLOBUTANECARBOXYLIC ACID ethyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylate TETRAMETHYL-1,3-CYCLOBUTANEDIONE 2,2-DIMETHYL-6,6,7,7,8,8,8-HEPTAFLUORO-3,5-OCTANEDIONE 1,1-Cyclobutanedicarboxylic acid ALPHA-(-)-THUJONE METHYL O-METHYLPODOCARPATE CHRYSANTHEMYL ALCOHOL 1,1,3,3-TETRAMETHYLBUTYL ISOCYANIDE PERHYDROFLUORENE 2-Ethylhexyl bromide PINONIC ACID CYCLOPROPYL DIPHENYL CARBINOL 2-CARENE 3-CARENE Dicyclopropyl ketone Ethyl chrysanthemumate 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL

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