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Hexane

CAS No.
110-54-3
Chemical Name:
Hexane
Synonyms
n-Hexane;HEXANES;1-HEXANE;OXFORD;n-Hexan;Heksan;n-Hexane, HPLC, 95.0% min.;dipropyl;NAPHTHA SOLVENT;ISOHEXANES
CBNumber:
CB1852811
Molecular Formula:
C6H14
Lewis structure
c6h14 lewis structure
Molecular Weight:
86.18
MDL Number:
MFCD00009520
MOL File:
110-54-3.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-08-25 20:17:46

Hexane 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 n20/D 1.388
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)
color Colorless
Specific Gravity 0.660 (20/4℃)
PH 7
Odor Mild gasoline-like odor detectable at 65 to 248 ppm
Relative polarity 0.009
explosive limit 1.0-8.1%(V)
Odor Threshold 1.5ppm
Viscosity 0.31 mPas 20°C
Water Solubility insoluble
Thermal Conductivity 0.12 W/(m·K) at 25 ℃
Specific Heat Capacity Cp(liquid): 2.27 J/(g·K), at 25℃
λmax λ: 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 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)
Exposure limits ACGIH:TLV-TWA 50 ppm (176 mg/m3)
OSHA:PEL-TWA 500 ppm (1800 mg/m3)
NIOSH:REL-TWA 50 ppm
Dielectric constant 2.0(-90℃)
Stability Stable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate. Highly flammable. Readily forms explosive mixtures with air. Note low flash point.
Cosmetics Ingredients Functions SOLVENT
VISCOSITY CONTROLLING
InChI 1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKey VLKZOEOYAKHREP-UHFFFAOYSA-N
SMILES CCCCCC
LogP 4 at 20℃ and pH7
Surface tension 18.52mN/m at 293.15K
Substances of Very High Concern (SVHC) Candidate List n-hexane (110-54-3)
Substances Added to Food (formerly EAFUS) HEXANE
FDA 21 CFR 173.270; 175.105; 175.320;176.200; 177.1200
CAS DataBase Reference 110-54-3(CAS DataBase Reference)
EWG's Food Scores 4-7
FDA UNII 2DDG612ED8
Proposition 65 List n-Hexane
NIST Chemistry Reference Hexane(110-54-3)
EPA Substance Registry System Hexane (110-54-3)
Toxicological Profile|ATSDR Hexane|Toxicological Profile|ATSDR
UNSPSC Code 41116107
NACRES NB.21

SAFETY

Risk and Safety Statements

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H315-H361-H372-H335-H336-H304-H411-H225
Precautionary statements  P501-P273-P270-P202-P240-P260-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P308+P313-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
target organs Central nervous system, Nervous system
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 1208 (HEXANES)
OEB A
OEL TWA: 50 ppm (180 mg/m3)
WGK Germany  3
RTECS  MN9275000
F  3-10
Autoignition Temperature 225 °C
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29011000
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Asp. Tox. 1
Flam. Liq. 2
Repr. 2
Skin Irrit. 2
STOT RE 2 Inhalation
STOT SE 3
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]
REACH Registrations Active
Limited Quantities 1.0 L (0.3 gallon) (liquid)
Excepted Quantities Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
NFPA 704
3
0

Hexane price More Price(299)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich HX0302 n-Hexane 95% Meets ACS Specifications GR ACS 110-54-3 4L $496 2026-04-30 Buy
Sigma-Aldrich HX0302 n-Hexane 95% Meets ACS Specifications GR ACS 110-54-3 20L $1250 2026-04-30 Buy
Sigma-Aldrich HX0299 Hexanes, 98.5% ACS, ~64% n-Hexane Meets ACS Specifications 110-54-3 500mL $101 2026-04-30 Buy
Sigma-Aldrich HX0300 Hexanes,98% Practical 110-54-3 4L $279 2026-04-30 Buy
Sigma-Aldrich HX0299 Hexanes, 98.5% ACS, ~64% n-Hexane Meets ACS Specifications 110-54-3 4L $387 2026-04-30 Buy
Product number Packaging Price Buy
HX0302 4L $496 Buy
HX0302 20L $1250 Buy
HX0299 500mL $101 Buy
HX0300 4L $279 Buy
HX0299 4L $387 Buy

Hexane Chemical Properties, Uses, Production

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%. .

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.
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 Properties

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.

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

Suitable for HPLC, spectrophotometry, environmental testing

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.

Definition

ChEBI: An unbranched alkane containing six carbon atoms.

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.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

HEXANE 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. .

Hazard

Flammable, dangerous fire risk.

Health Hazard

n-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 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.

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.

First aid

If this chemical gets into the eyes, remove anycontact lenses at once andirrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek med-ical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, includ-ing resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medi-cal attention. Do not induce vomiting.

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.

Shipping

UN1208 Hexanes, Hazard Class: 3; Labels: 3-Flammable liquid.

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.

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.

Toxics Screening Level

The initial threshold screening level (ITSL) for n-hexane is 700 μg/m3 based on an annual averaging time.

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.

592-41-6
110-54-3
Synthesis of Hexane from 1-Hexene

Hexane Preparation Products And Raw materials

Raw materials

Preparation Products

1of8

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Related Questions

Ask a question
Q:How can hexane be degradated safely and efficiently?STAR - Apr 13,2026
A:Hexane is a neurotoxic volatile organic compound commonly found in industrial emissions; its hydrophobic nature makes it difficult to biodegrade, thereby posing risks to the environment and human health. Studies have shown that the Rhodococcus qingshengii strain SCJ-1 exhibits a strong ability to degrade hexane. Following optimisation using the Haldane growth model, under conditions of pH 7.0 and 30 °C, strain SCJ-1 was able to degrade 82.3% of a 200 mg·L−1 hexane solution within 48 hours.

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Hexane pictures 2026-10-13 Hexane
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