3-METHYLPENTANE

3-METHYLPENTANE Basic information
Product Name:3-METHYLPENTANE
Synonyms:METHYL DIETHYL METHANE;DIETHYLMETHYLMETHANE;(+/-)-3-METHYLPENTANE;3-METHYLPENTANE;3-METHYLPENTANE, 99+%;3-METHYLPENTANE, STANDARD FOR GC;3-METHYLPENTANE, 1000MG, NEAT;C6ISOMERSOFHEXANE
CAS:96-14-0
MF:C6H14
MW:86.18
EINECS:202-481-4
Product Categories:Building Blocks;Chemical Synthesis;Alphabetic;Hydrocarbons;M;Organic Building Blocks;Alkanes;Organic Building Blocks;META - METHChemical Class;Neats;Alpha Sort;MAlphabetic;META - METH;Volatiles/ Semivolatiles;Acyclic
Mol File:96-14-0.mol
3-METHYLPENTANE Structure
3-METHYLPENTANE Chemical Properties
Melting point -118 °C
Boiling point 64 °C(lit.)
density 0.664 g/mL at 25 °C(lit.)
vapor density 2.97 (vs air)
vapor pressure 135 mm Hg ( 17 °C)
refractive index n20/D 1.376(lit.)
Fp 20 °F
storage temp. Flammables area
solubility In methanol, g/L: 389 at 5 °C, 450 at 10 °C, 530 at 15 °C, 650 at 20 °C, 910 at 25 °C. Miscible at higher temperatures (Kiser et al., 1961).
form Liquid
color Clear colorless
explosive limit~7.7%
Odor Threshold8.9ppm
Water Solubility Soluble in water. 0.013 g/L at 20°C). Miscible in ether, acetone. Soluble in ethanol.
BRN 1730734
Henry's Law Constant1.693 atm?m3/mol at 25 °C (Hine and Mookerjee, 1975)
Exposure limitsACGIH TLV: TWA and STEL for all isomers except n-hexane are 500 and 1,000 ppm, respectively (adopted).
Stability:Stable. Highly flammable. Incompatible with strong oxidizing agents.
LogP3.6 at 20℃ and pH7
CAS DataBase Reference96-14-0(CAS DataBase Reference)
EPA Substance Registry System3-Methylpentane (96-14-0)
Safety Information
Hazard Codes F,Xn,N
Risk Statements 11-36-51/53-65-67-38
Safety Statements 16-23-33-61-62-29-9
RIDADR UN 1208 3/PG 2
WGK Germany 2
RTECS SA2995500
Autoignition Temperature532 °F
TSCA Yes
HazardClass 3
PackingGroup II
HS Code 29011000
Hazardous Substances Data96-14-0(Hazardous Substances Data)
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
3-METHYLPENTANE Usage And Synthesis
Chemical Propertiescolourless liquid
Chemical Properties3-Methylpentane, C6H14, is a colorless, flammable liquid with specific gravity 0.664. It occurs in petroleum and natural gas, and may be released to the environment in evaporative losses, wastewater, spills, and combustion exhaust.
Physical propertiesClear, colorless, flammable liquid with an odor similar to hexane, heptane, and similar aliphatic hydrocarbons. An odor threshold concentration of 8.9 ppmv was reported by Nagata and Takeuchi (1990).
Uses3-Methylpentane is a component of three typical commercial hexanes, obtained from the fractionation of natural gas liquids, a refinery operation involving hydrogenation, and a stream meeting polymerization. Other than for fuel, it is used in extraction of oil from seeds and as a solvent and reaction medium in the manufacture of polyolefins, synthetic rubbers, and some pharmaceuticals.
Uses3-Methylpentane is used as a solvent in the preparation of vegetable oils, glues, coatings, and paints. It is also used in gasoline, rubber solvent, and petroleum ether.
UsesOrganic synthesis, solvent.
DefinitionChEBI: 3-methylpentane is an alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black. It has a role as a human metabolite, an allelochemical and a non-polar solvent. It is an alkane and a volatile organic compound.
HazardFlammable, dangerous fire risk.
Safety ProfileMay have narcotic or anesthetic properties. A very dangerous fire hazard when exposed to heat or flame; can react vigorously with oxidizing materials. Explosive in the form of vapor when exposed to heat or flame. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
SourceSchauer et al. (1999) reported 3-methylpentane in a diesel-powered medium-duty truck exhaust at an emission rate of 670 μg/km.
California Phase II reformulated gasoline contained 3-methylpentane at a concentration of 22.7 g/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 3.76 and 512 mg/km, respectively (Schauer et al., 2002).
Environmental fatePhotolytic. The following rate constants were reported for the reaction of 3-methylpentane and OH radicals in the atmosphere: 4.30 x 10-9 cm3/molecule?sec at 300 K (Darnall et al., 1976); 6.8 x 10-12 cm3/molecule?sec at 305 K (Darnall et al., 1978); 5.7 x 10-12 cm3/molecule?sec (Altshuller, 1991).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 3- Methylpentane will not hydrolyze because it does not contain a hydrolyzable functional group.
Purification MethodsPurify it by azeotropic distillation with MeOH, as for 2-methylpentane. Purify it for ultraviolet spectroscopy by passing it through columns of silica gel or alumina activated by heating for 8hours at 210o under a stream of nitrogen. Alternatively treat it with conc (or fuming) H2SO4, then wash it with water, aqueous 5% NaOH, water again, then dry (CaCl2, then sodium), and distil it through a long, glass helices-packed, column. [Beilstein 1 IV 363.]
2-Ethylhexyl chloroformate CYCLOBUTANE-1,2-DICARBONITRILE ethyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylate 3-CHLORO-3-METHYLPENTANE 2-Ethylhexanoyl chloride 1,2,3,4,5,6-HEXAMETHYLBICYCLO[2.2.0]HEXA-2,5-DIENE ALPHA-(-)-THUJONE (-)-MYRTENOL METHYL O-METHYLPODOCARPATE CHRYSANTHEMYL ALCOHOL ALPHA-PINENE PERHYDROFLUORENE 1-Bromo-2-ethylbutane 2-Ethylhexyl bromide PINONIC ACID cis-VERBENOL 3-CARENE Ethyl chrysanthemumate

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