| Identification | More | [Name]
Hexane | [CAS]
110-54-3 | [Synonyms]
HEXANE
HEXANES
ISOHEXANE
ISOHEXANES
NAPHTHA SOLVENT
commercialhexane
dipropyl
Esani
Exxsol hexane
Gettysolve-B
Heksan
heksan(polish)
hexane(non-specificname)
Hexanen
n-C6H14
NCI-C60571
n-Hexan
normalhexane
Skellysolve B
skellysolveb | [EINECS(EC#)]
203-523-4 | [Molecular Formula]
C6H14 | [MDL Number]
MFCD02179311 | [Molecular Weight]
86.18 | [MOL File]
110-54-3.mol |
| Chemical Properties | Back Directory | [Appearance]
n-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. | [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 ]
n20/D 1.388
| [Fp ]
30 °F
| [storage temp. ]
Store at RT. | [solubility ]
Very soluble in ethanol, ethyl ether and chloroform. | [form ]
Liquid | [pka]
>14 (Schwarzenbach et al., 1993) | [color ]
Colorless | [Specific Gravity]
0.660 (20/4℃) | [Odor]
Mild gasoline-like odor detectable at 65 to 248 ppm | [Relative polarity]
0.009 | [Stability:]
Stable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate. Highly flammable. Readily forms explosive mixtures with air. Note low flash point. | [explosive limit]
1.0-8.1%(V) | [Odor Threshold]
1.5ppm | [Water Solubility ]
insoluble | [λmax]
λ: 200 nm Amax: ≤0.70
λ: 225 nm Amax: ≤0.10
λ: 250 nm Amax: ≤0.01 | [Detection Methods]
GC | [Merck ]
14,4694 | [BRN ]
1730733 | [Henry's Law Constant]
0.238, 0.413, 0.883, 0.768, and 1.56 at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworth
et al., 1988) | [Dielectric constant]
2.0（-90℃） | [Exposure limits]
TLV-TWA 50 ppm (～175 mg/m3) (ACGIH),
500 ppm (～1750 mg/m3) (OSHA); IDLH
5000 ppm (NIOSH). | [InChIKey]
VLKZOEOYAKHREP-UHFFFAOYSA-N | [LogP]
4 at 20℃ and pH7 | [CAS DataBase Reference]
110-54-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Hexane(110-54-3) | [EPA Substance Registry System]
Hexane (110-54-3) |
| Hazard Information | Back Directory | [Chemical Properties]
n-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, dizzi-
ness, numbness of limbs, CNS depression, vertigo, and respiratory tract irritation to ani-
mals 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. | [General Description]
Clear 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. | [Reactivity Profile]
HEXANE may be sensitive to light. N-HEXANE(110-54-3) may also be sensitive to prolonged exposure to heat. This compound can react vigorously with oxidizing materials. This would include compounds such as liquid chlorine, concentrated O2, sodium hypochlorite and calcium hypochlorite. N-HEXANE(110-54-3) is also incompatible with dinitrogen tetraoxide. N-HEXANE(110-54-3) will attack some forms of plastics, rubber and coatings. . | [Air & Water Reactions]
Highly flammable. Insoluble in water. | [Hazard]
Flammable, dangerous fire risk. | [Health Hazard]
INHALATION 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. | [Potential Exposure]
n-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. | [Fire Hazard]
Behavior in Fire: Vapors may explode | [First aid]
If this chemical gets into the eyes, remove any
contact lenses at once and irrigate immediately for at least
15 minutes, occasionally lifting upper and lower lids. Seek
medical attention immediately. If this chemical contacts the
skin, remove contaminated clothing and wash immediately
with soap and water. Seek medical attention immediately.
If this chemical has been inhaled, remove from exposure,
begin rescue breathing (using universal precautions, includ ing resuscitation mask) if breathing has stopped and CPR if
heart action has stopped. Transfer promptly to a medical
facility. When this chemical has been swallowed, get medi cal attention. Do not induce vomiting. | [Shipping]
UN1208 Hexanes, Hazard Class: 3; Labels:
3-Flammable liquid. | [Incompatibilities]
May 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. | [Description]
Hexane is a highly flammable, colorless, volatileliquid with a gasoline-like odor. The water/odor threshold is0.0064 mg/L and the air/odor threshold is 230- 875 mg/m'Molecular weight= 86.20; Specific gravity (H2O:1)= 0.66; .Boiling point = 68.9℃; FreezingMelting point= -139.49C; .Relative vapordensity (air= 1)= 3.0; V aporpressure = 124 mmHg at 20℃; Flash point=一21.6℃ (cc);Autoignition temperature = 225℃.Explosivelimits: .LEL= 1.1%， UEL= 7.5%. Hazard Identification (basedon NFPA-704 M Rating System): Health 1, Flammability3,Reactivity 0.Practically insolubleinwater;solubility = 0.002%. . | [Waste Disposal]
Dissolve 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. | [Physical properties]
Clear, 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). | [Uses]
Determining refractive index of minerals; filling for thermometers instead of mercury, usually with a blue or red dye; extraction solvent for oilseed processing. | [Uses]
n-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. | [Uses]
Suitable for HPLC, spectrophotometry, environmental testing | [Definition]
ChEBI: An unbranched alkane containing six carbon atoms. | [Flammability and Explosibility]
Hexane 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 Reactivity]
Reactivity 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. | [Carcinogenicity]
Male 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. | [Source]
In 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 Fate]
Biological. 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. | [storage]
hexane 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. | [Purification Methods]
Purify 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 evaluation]
Identification 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. |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xn,N | [Risk Statements ]
R11:Highly Flammable.
R38:Irritating to the skin.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R65:Harmful: May cause lung damage if swallowed.
R67:Vapors may cause drowsiness and dizziness.
R62:Possible risk of impaired fertility.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R48/20:Harmful: danger of serious damage to health by prolonged exposure through inhalation .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S53:Avoid exposure-obtain special instruction before use . | [RIDADR ]
UN 3295 3/PG 2
| [WGK Germany ]
3
| [RTECS ]
MN9275000
| [F ]
3-10 | [Autoignition Temperature]
225 °C | [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29011000 | [Hazardous Substances Data]
110-54-3(Hazardous Substances Data) | [Toxicity]
LC50 (4 hr) in mice by inhalation: 48000 ppm; LD50 orally in rats: 32.0 g/kg (Couri, Milks) | [IDLA]
1,100 ppm [10% LEL] |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
PETROLEUM ETHER-->Gas oils (petroleum), straight-run-->Hexane | [Preparation Products]
L-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-Bromo-2-pyridinecarboxylic 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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