Hexane Chemical Properties
- Melting point:-95 °C
- Boiling point:68.95 °C(lit.)
- Density 0.659 g/mL at 25 °C(lit.)
- vapor density 3.5 (vs air)
- vapor pressure 40 mm Hg ( 20 °C)
- refractive index n
- Flash point:30 °F
- storage temp. Store at +5°C to +30°C.
- solubility Very soluble in ethanol, ethyl ether and chloroform.
- form Liquid
- pka>14 (Schwarzenbach et al., 1993)
- Specific Gravity0.660 (20/4℃)
- color Colorless
- Relative polarity0.009
- OdorMild gasoline-like odor detectable at 65 to 248 ppm
- Odor Threshold1.5ppm
- explosive limit1.0-8.1%(V)
- Water Solubility insoluble
- λmaxλ: 200 nm Amax: ≤0.70
λ: 225 nm Amax: ≤0.10
λ: 250 nm Amax: ≤0.01
- Merck 14,4694
- BRN 1730733
- Henry's Law Constant0.238, 0.413, 0.883, 0.768, and 1.56 at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworth et al., 1988)
- Exposure limitsTLV-TWA 50 ppm (～175 mg/m3) (ACGIH), 500 ppm (～1750 mg/m3) (OSHA); IDLH 5000 ppm (NIOSH).
- Stability:Stable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate. Highly flammable. Readily forms explosive mixtures with air. Note low flash point.
- CAS DataBase Reference110-54-3(CAS DataBase Reference)
- NIST Chemistry ReferenceHexane(110-54-3)
- EPA Substance Registry SystemHexane (110-54-3)
- Hazard Codes F,Xn,N
- Risk Statements 11-38-50/53-65-67-62-51/53-48/20-36/37/38
- Safety Statements 9-16-29-33-60-61-62-36/37-45-36/37/39-53-26
- RIDADR UN 3295 3/PG 2
- WGK Germany 3
- RTECS MN9275000
- F 3-10
- Autoignition Temperature225 °C
- TSCA Yes
- HazardClass 3
- PackingGroup II
- HS Code 29011000
- Hazardous Substances Data110-54-3(Hazardous Substances Data)
- ToxicityLC50 (4 hr) in mice by inhalation: 48000 ppm; LD50 orally in rats: 32.0 g/kg (Couri, Milks)
Hexane Usage And Synthesis
- Chemical Propertiesn-Hexane is a highly flammable liquid, usually isolated from crude oil, and has extensive industrial applications as a solvent in adhesive bandage factories and other industries.
It is highly toxic, triggering several adverse health effects, i.e., nausea, skin irritation, dizziness, numbness of limbs, CNS depression, vertigo, and respiratory tract irritation to animals and humans. Occupational exposure of industrial workers has demonstrated motor polyneuropathy. Workers associated with long-term glue sniffi ng showed adverse effects in the form of degeneration of axons and nerve terminals.
- Chemical Propertiesn-Hexane is a highly flammable, colorless, volatile liquid with a gasoline-like odor. The water/odor threshold is 0.0064 mg/L and the air/odor threshold is 230 875 milligram per cubic meter.
- Physical propertiesClear, colorless, very flammable liquid with a faint, gasoline-like odor. An odor threshold concentration of 1.5 ppmv was reported by Nagata and Takeuchi (1990).
- UsesDetermining refractive index of minerals; filling for thermometers instead of mercury, usually with a blue or red dye; extraction solvent for oilseed processing.
- UsesSuitable for HPLC, spectrophotometry, environmental testing
- Usesn-Hexane is a chief constituent of petroleumether, gasoline, and rubber solvent. It is usedas a solvent for adhesives, vegetable oils,and in organic analysis, and for denaturingalcohol.
- DefinitionChEBI: An unbranched alkane containing six carbon atoms.
- General DescriptionClear colorless liquids with a petroleum-like odor. Flash points -9°F. Less dense than water and insoluble in water. Vapors heavier than air. Used as a solvent, paint thinner, and chemical reaction medium.
- Air & Water ReactionsHighly flammable. Insoluble in water.
- Reactivity ProfileHEXANE may be sensitive to light. Hexane may also be sensitive to prolonged exposure to heat. Hexane can react vigorously with oxidizing materials. This would include compounds such as liquid chlorine, concentrated O2, sodium hypochlorite and calcium hypochlorite. Hexane is also incompatible with dinitrogen tetraoxide. Hexane will attack some forms of plastics, rubber and coatings. .
- HazardFlammable, dangerous fire risk.
- Health Hazardn-Hexane is a respiratory tract irritant andat high concentrations a narcotic. Its acutetoxicity is greater than that of n-pentane.Exposure to a concentration of 40,000 ppmfor an hour caused convulsions and death inmice. In humans a 10-minute exposure toabout 5000 ppm may produce hallucination,distorted vision, headache, dizziness, nausea,and irritation of eyes and throat. Chronicexposure to n-hexane may cause polyneuritis.
The metabolites of n-hexane injected inguinea pigs were reported as 2,5- hexanedioneand 5-hydroxy-2-hexanone, which arealso metabolites of methyl butyl ketone(DiVincenzo et al. 1976). Thus methyl butylketone and n- hexane should have similartoxicities. The neurotoxic metabolite, 2,5-hexanedione, however, is produced considerablyless in n-hexane. However, in the caseof hexane, the neurotoxic metabolite 2,5-hexanedione is produced to a much lesserextent. Continuous exposure to 250 ppmn-hexane produced neurotoxic effects in animals. Occupational exposure to 500 ppmmay cause polyneuropathy (ACGIH 1986).
Inhalation of n-hexane vapors have shownreproductive effects in rats and mice.
- Flammability and ExplosibilityHexane is extremely flammable (NFPA rating = 3), and its vapor can travel a
considerable distance to an ignition source and "flash back." Hexane vapor forms
explosive mixtures with air at concentrations of 1.1 to 7.5 % (by volume).
Hydrocarbons of significantly higher molecular weight have correspondingly higher vapor pressures and therefore present a reduced flammability hazard. Carbon dioxide or dry chemical extinguishers should be used for hexane fires.
- Chemical ReactivityReactivity with Water: No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
- Potential Exposuren-Hexane is industrial chemical, emul sifier, in manufacture of plastics, resins; as a solvent, par ticularly in the extraction of edible fats and oils; as a laboratory reagent; and as the liquid in low temperature thermometers. Technical and commercial grades consist of 45 85% hexane, as well as cyclopentanes, isohexane, and 1% to 6% benzene.
- CarcinogenicityMale rabbits exposed to 3000 ppm hexane (8 h/day, 6 days/week for 24 weeks) developed papillary proliferation of nonciliated bronchiolar cells. No tumors were found in mice painted with hexane and croton oil as cocarcinogen, presumably for the lifetime of each animal. Hexane is inactive as a tumorpromoting agent.
- SourceIn diesel engine exhaust at a concentration of 1.2% of emitted hydrocarbons (quoted,
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 hexane in the headspace were 4.31 wt % for regular grade, 3.74.8 wt % for midgrade, and 2.3 wt % for premium grade.
Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 1.82 and 268 mg/km, respectively (Schauer et al., 2002).
- Environmental FateBiological. Hexane may biodegrade in two ways. The first is the formation of hexyl hydroperoxide,
which decomposes to 1-hexanol followed by oxidation to hexanoic acid. The other
pathway involves dehydrogenation to 1-hexene, which may react with water giving 1-hexanol
(Dugan, 1972). Microorganisms can oxidize alkanes under aerobic conditions (Singer and
Finnerty, 1984). The most common degradative pathway involves the oxidation of the terminal
methyl group forming 1-hexanol. The alcohol may undergo a series of dehydrogenation steps
forming a hexanal followed by oxidation to form hexanoic acid. The fatty acid may then be
metabolized by β-oxidation to form the mineralization products, carbon dioxide and water (Singer
and Finnerty, 1984).
Photolytic. An aqueous solution irradiated by UV light at 50 °C for 1 d resulted in a 50.51% yield of carbon dioxide (Knoevenagel and Himmelreich, 1976). Synthetic air containing gaseous nitrous acid and exposed to artificial sunlight (λ = 300–450 nm) photooxidized hexane into two isomers of hexyl nitrate and peroxyacetal nitrate (Cox et al., 1980).
Chemical/Physical. Complete combustion in air yields carbon dioxide and water vapor.
- storagehexane should be used only in areas free of ignition sources, and quantities greater than 1 liter should be stored in tightly sealed metal containers in areas separate from oxidizers.
- ShippingUN1208 Hexanes, Hazard Class: 3; Labels: 3-Flammable liquid.
- Purification MethodsPurify as for n-heptane. Modifications include the use of chlorosulfonic acid or 35% fuming H2SO4 instead of conc H2SO4 in washing the alkane, and final drying and distilling from sodium hydride. Unsaturated impurities can be removed by shaking the hexane with nitrating acid (58% H2SO4, 25% conc HNO3, 17% water, or 50% HNO3, 50% H2SO4), then washing the hydrocarbon layer with conc H2SO4, followed by H2O, drying, and distilling over sodium or n-butyl lithium. It can also be purified by distillation under nitrogen from sodium benzophenone ketyl solubilised with tetraglyme. Also purify it by passage through a silica gel column followed by distillation [Kajii et al. J Phys Chem 91 2791 1987]. It is a FLAMMABLE liquid and a possible nerve toxin. [Beilstein 1 IV 338.] Rapid purification: Distil, discarding the first forerun and stored over 4A molecular sieves.
- Toxicity evaluationIdentification of 2,5-hexanedione as the major neurotoxic metabolite of n-hexane proceeded rapidly after its discovery as a urinary metabolite. 2,5-Hexanedione has been found to produce a polyneuropathy indistinguishable from n-hexane. 2,5-Hexanedione is many times more potent than n-hexane, the parent compound, in causing neurotoxicity in experimental animals. It appears that the neurotoxicity of 2,5-hexanedione resides in its γ-diketone structure since 2,3-, 2,4-hexanedione and 2,6-heptanedione are not neurotoxic, while 2,5-heptanedione and 3,6-octanedione and other g-diketones are neurotoxic.
- IncompatibilitiesMay form explosive mixture with air. Contact with strong oxidizers may cause fire and explo sions. Contact with dinitrogen tetraoxide may explode @ 28℃.Attacks some plastics, rubber and coatings. May accumulate static electrical charges, and may cause ignition of its vapors.
- Waste DisposalDissolve or mix the material with a combustible solvent and burn in a chemical incinera tor equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
Hexane Preparation Products And Raw materials
- Raw materialsPETROLEUM ETHERGas oils (petroleum), straight-run Hexane
- Preparation ProductsL-Carnitine-L-tartrate 1-(2-Methoxyphenyl)piperazine2-(2-ISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE3-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID HYDRAZIDE[Bis(trifluoroacetoxy)iodo]benzeneN-METHYL-O-TOLUIDINE3-ACETOXYBENZOIC ACIDMETHYL 3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLATE2,5-Dichloroisonicotinic acidTERT-BUTYL 3-FORMYLPYRIDIN-4-YLCARBAMATEBIS(DIISOPROPYLAMINO)CHLOROPHOSPHINE2'-BROMOACETANILIDE(3-HYDROXYMETHYL-PYRIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER2-(4-chlorop henyl)-4，5-dihydro-1-methyl-5-(trifluoromethyl)-1H-pyr role-3-carbonitrile1 1'-BIS(DIPHENYLPHOSPHINO)FERROCENE4-BOCAMINO-NICOTINIC ACID1-DIPHENYLPHOSPHINO-1'-(DI-TERT-BUTYLPH&(1R,3S)-3-Aminocyclopentanecarboxylic acid5-Bromopyridine-2-carboxylic acidCYANOMETHYLENETRIBUTYLPHOSPHORANEETHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE3-CHLOROBENZO[B]THIOPHENE-2-CARBONYL CHLORIDE3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACIDTERT-BUTYL 4-FORMYL-2-METHOXYPHENYL CARB ONATE, 991-Methyl-2-imidazolecarboxaldehyde1,2-Bis(dimethylsilyl)benzene 3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBALDEHYDE1,1'-BIS(DIISOPROPYLPHOSPHINO)FERROCENE(2,2-DIMETHYL-PROPYL)-HYDRAZINE1,1'-FERROCENEDICARBOXALDEHYDE(1R,4S)-4-Aminocyclopent-2-enecarboxylic acidMono-caprylin glycerateCANOLA OIL 1000MG NEAT5-Chloro-2-nitrobenzaldehydeBIS(DIETHYLAMINO)CHLOROPHOSPHINERAPESEEDOIL,SUPERGLYCERINATED,FULLYHYDROGENATEDAnnattoMaize yellIowPefurazoate
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