Hexane CAS:110-54-3

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Hexane CAS:110-54-3

Hexane CAS:110-54-3 Basic information

Product Name: Hexane
Synonyms: Spectrophotometric
CAS: 110-54-3
MF: C6H14
MW: 86.18
EINECS: 203-777-6
Product Categories: Residue Analysis (Japan only);Solvents by Special Grades (Japan Customers Only);ACS and Reagent Grade Solvents;ACS Grade;ACS Grade Solvents;Analytical Reagents for General Use;E-L;Multi-Compendial;Puriss p.a.;Puriss p.a. ACS;Sure/Seal Bottles;Carbon Steel
Mol File: 110-54-3.mol

Hexane CAS:110-54-3 Chemical Properties

density: 0.659 g/mL at 25 °C(lit.)
Melting point: -95 °C
Boiling point: 68.95 °C(lit.)
form: Liquid
storage temp.: Store at RT
Water Solubility: insoluble
color: Colorless
refractive index: n20/D 1.388
pka: >14 (Schwarzenbach et al., 1993)
BRN: 1730733
InChIKey: VLKZOEOYAKHREP-UHFFFAOYSA-N
NIST Chemistry Reference: Hexane(110-54-3)
Merck: 1730733
Specific Gravity: 0.660 (20/4℃)
Odor: Mild gasoline-like odor detectable at 65 to 248 ppm
explosive limit: 1.0-8.1%(V)
CAS DataBase Reference: 110-54-3(CAS DataBase Reference)
EPA Substance Registry System: Hexane (110-54-3)

ProductOctanal

Lot No.: B20120502

Manufacturing Date:20120502

Expity Date:July 05,2022

Test Date:20120705

Test No.:20200723-05

Item

Standards

Results

Testing Method

Density(20) (g/cm3)

0.660---0.680

0.660

ASTM D4052

Appearance

Clear&Colorless

Clear&Colorless

ASTM D4176

Water, ppm

≤100

30.8

ASTM D6304

Bromine Index,mg/100g

≤50

0

ASTM D2710

Saybolt color

+28

30

ASTM D156

Nonvolatile Matter,mg/100ml

≤1

0.4

ASTM D1353

Benzene, ppm

≤10

0

G.C

Sulfurppm

≤1

0

ASTM D3120

N-hexane,%m/m

≥99

99.27

G.C

2-methyl-pentane,%

≤0.5

0.08

G.C

3-methyl-pentane,%

≤0.5

0.36

G.C

Methyl-c-pentane,%

≤0.5

0.22

G.C

Cyclohexane.%

≤0.3

0.037

G.C

Distillation IBP 

Distillation DP

≥65

≤70

68.1

68.5

ASTM D1078



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.
n-Hexane
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, Verschueren, 1983).
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.
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 ETHER-->Gas oils (petroleum), straight-run-->Hexane
Preparation ProductsL-Carnitine-L-tartrate-->1-(2-Methoxyphenyl)piperazine-->2-(2-ISOPROPYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE-->3-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID HYDRAZIDE-->[Bis(trifluoroacetoxy)iodo]benzene-->N-METHYL-O-TOLUIDINE-->3-ACETOXYBENZOIC ACID-->METHYL 3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLATE-->2,5-Dichloroisonicotinic acid-->TERT-BUTYL 3-FORMYLPYRIDIN-4-YLCARBAMATE-->BIS(DIISOPROPYLAMINO)CHLOROPHOSPHINE-->2'-BROMOACETANILIDE-->(3-HYDROXYMETHYL-PYRIDIN-4-YL)-CARBAMIC ACID TERT-BUTYL ESTER-->2-(4-chlorop henyl)-4,5-dihydro-1-methyl-5-(trifluoromethyl)-1H-pyr role-3-carbonitrile-->1 1'-BIS(DIPHENYLPHOSPHINO)FERROCENE-->4-BOCAMINO-NICOTINIC ACID-->1-DIPHENYLPHOSPHINO-1'-(DI-TERT-BUTYLPH&-->(1R,3S)-3-Aminocyclopentanecarboxylic acid-->5-Bromopyridine-2-carboxylic acid-->CYANOMETHYLENETRIBUTYLPHOSPHORANE-->ETHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-3-CARBOXYLATE-->3-CHLOROBENZO[B]THIOPHENE-2-CARBONYL CHLORIDE-->3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLIC ACID-->TERT-BUTYL 4-FORMYL-2-METHOXYPHENYL CARB ONATE, 99-->1-Methyl-2-imidazolecarboxaldehyde-->1,2-Bis(dimethylsilyl)benzene-->3,4-DIHYDRO-2H-1,5-BENZODIOXEPINE-7-CARBALDEHYDE-->1,1'-BIS(DIISOPROPYLPHOSPHINO)FERROCENE-->(2,2-DIMETHYL-PROPYL)-HYDRAZINE-->1,1'-FERROCENEDICARBOXALDEHYDE-->(1R,4S)-4-Aminocyclopent-2-enecarboxylic acid-->Mono-caprylin glycerate-->CANOLA OIL-->5-Chloro-2-nitrobenzaldehyde-->BIS(DIETHYLAMINO)CHLOROPHOSPHINE-->RAPESEEDOIL,SUPERGLYCERINATED,FULLYHYDROGENATED-->Annatto-->Maize yellIow-->Pefurazoate


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