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Hexane

Hexane Structure
CAS No.
110-54-3
Chemical Name:
Hexane
Synonyms
n-Hexane;HEXANES;1-HEXANE;n-Hexan;dipropyl;NAPHTHA SOLVENT;ISOHEXANES;n-Hexane, HPLC, 95.0% min.;OXFORD;HEXANES HPLC
CBNumber:
CB1852811
Molecular Formula:
C6H14
Molecular Weight:
86.18
MOL File:
110-54-3.mol
MSDS File:
SDS
Modify Date:
2024/7/2 14:09:54
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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℃)
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
Water Solubility insoluble
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)
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).
Stability Stable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate. Highly flammable. Readily forms explosive mixtures with air. Note low flash point.
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)

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS02,GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H225-H304-H315-H336-H361f-H373-H411
Precautionary statements  P201-P210-P273-P301+P310-P303+P361+P353-P331
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
OEB A
OEL TWA: 50 ppm (180 mg/m3)
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
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]
NFPA 704
3
0

Hexane price More Price(81)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich(India) RTC000084 Hexane Pharmaceutical Secondary Standard; Certified Reference Material 110-54-3 20ML ₹11723.78 2022-06-14 Buy
Sigma-Aldrich(India) PHR1555 Hexane Pharmaceutical Secondary Standard; Certified Reference Material 110-54-3 3X1.2ML ₹8661.83 2022-06-14 Buy
Sigma-Aldrich(India) 650552 Hexane HPLC Plus, for HPLC, GC, and residue analysis, ≥95% 110-54-3 1L ₹9668.78 2022-06-14 Buy
Sigma-Aldrich(India) 52750 Hexane analytical standard 110-54-3 10ML ₹20385.6 2022-06-14 Buy
Sigma-Aldrich(India) 52750 Hexane analytical standard 110-54-3 50ML ₹38695.65 2022-06-14 Buy
Product number Packaging Price Buy
RTC000084 20ML ₹11723.78 Buy
PHR1555 3X1.2ML ₹8661.83 Buy
650552 1L ₹9668.78 Buy
52750 10ML ₹20385.6 Buy
52750 50ML ₹38695.65 Buy

Hexane Chemical Properties,Uses,Production

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.

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

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.

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.

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.

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.

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.

Hexane Preparation Products And Raw materials

Raw materials

Gas oils (petroleum), straight-run Hexane Pumping oil PETROLEUM ETHER

Preparation Products

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

Global( 825)Suppliers
Supplier Tel Country ProdList Advantage Inquiry
GLR Innovations +91 9891111994 New Delhi, India 4542 58 Inquiry
ANJI BIOSCIENCES +91-9000100077 +91-9000100077 Hyderabad, India 430 58 Inquiry
Choice Chemicals +91-9895031268 +91-9895031268 Kerela, India 118 58 Inquiry
JSK Chemicals +919879767970 Gujarat, India 3756 58 Inquiry
Chemino Pharma Ltd +91-8689897373 +91-8689897373 Maharashtra, India 31 58 Inquiry
Merck Ltd +91-2262109800 +91-2262109000 Maharashtra, India 272 58 Inquiry
Bharat Petroleum Corporation Limited +91-22714000 +91-2222713000 Maharashtra, India 17 58 Inquiry
DeFINE CHEMICALS +91-8010769889 +91-9320057099 Maharashtra, India 120 58 Inquiry
Ridhdhi Sidhdhi Chemicals +91 9909006960 +91 9909006962 Gujarat, India 13 58 Inquiry
Expresolv Limited +91-787495635 +91-7069552255 Gujarat, India 49 58 Inquiry
Supplier Advantage
GLR Innovations 58
ANJI BIOSCIENCES 58
Choice Chemicals 58
JSK Chemicals 58
Chemino Pharma Ltd 58
Merck Ltd 58
Bharat Petroleum Corporation Limited 58
DeFINE CHEMICALS 58
Ridhdhi Sidhdhi Chemicals 58
Expresolv Limited 58

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