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N-OCTANE structure
Chemical Name:
Molecular Formula:
Formula Weight:
MOL File:

N-OCTANE Properties

Melting point:
−57 °C(lit.)
Boiling point:
125-127 °C(lit.)
0.703 g/mL at 25 °C(lit.)
vapor density 
3.9 (vs air)
vapor pressure 
11 mm Hg ( 20 °C)
refractive index 
n20/D 1.398(lit.)
Flash point:
60 °F
storage temp. 
Flammables area
ethanol: soluble(lit.)
Clear colorless
Like gasoline.
explosive limit
Water Solubility 
0.0007 g/L (20 ºC)
Exposure limits
TLV-TWA 300 ppm (~1450 mg/m3) (ACGIH and NIOSH), 500 ppm (~2420 mg/m3) (OSHA); STEL 375 ppm (~1800 mg/m3).
Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with oxidizing agents.
CAS DataBase Reference
111-65-9(CAS DataBase Reference)
NIST Chemistry Reference
EPA Substance Registry System
  • Risk and Safety Statements
  • Hazard and Precautionary Statements (GHS)
  • NFPA
Hazard Codes  F,Xn,N
Risk Statements  11-38-50/53-65-67
Safety Statements  9-16-29-33-60-61-62
RIDADR  UN 1262 3/PG 2
WGK Germany  1
RTECS  RG8400000
Autoignition Temperature 428 °F
HazardClass  3
PackingGroup  II
HS Code  29011000
Hazardous Substances Data 111-65-9(Hazardous Substances Data)
Signal word: Danger
Hazard statements:
Code Hazard statements Hazard class Category Signal word Pictogram P-Codes
H225 Highly Flammable liquid and vapour Flammable liquids Category 2 Danger P210,P233, P240, P241, P242, P243,P280, P303+ P361+P353, P370+P378,P403+P235, P501
H304 May be fatal if swallowed and enters airways Aspiration hazard Category 1 Danger
H315 Causes skin irritation Skin corrosion/irritation Category 2 Warning P264, P280, P302+P352, P321,P332+P313, P362
H336 May cause drowsiness or dizziness Specific target organ toxicity,single exposure; Narcotic effects Category 3 Warning P261, P271, P304+P340, P312,P403+P233, P405, P501
H400 Very toxic to aquatic life Hazardous to the aquatic environment, acute hazard Category 1 Warning P273, P391, P501
H410 Very toxic to aquatic life with long lasting effects Hazardous to the aquatic environment, long-term hazard Category 1 Warning P273, P391, P501
Precautionary statements:
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P261 Avoid breathing dust/fume/gas/mist/vapours/spray.
P273 Avoid release to the environment.
P331 Do NOT induce vomiting.
P391 Collect spillage. Hazardous to the aquatic environment
P301+P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353 IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P405 Store locked up.

NFPA 704

Diamond Hazard Value Description
1 0
Health   1 Exposure would cause irritation with only minor residual injury (e.g. acetone, sodium bromate, potassium chloride)
Flammability   3 Liquids and solids (including finely divided suspended solids) that can be ignited under almost all ambient temperature conditions . Liquids having a flash point below 22.8 °C (73 °F) and having a boiling point at or above 37.8 °C (100 °F) or having a flash point between 22.8 and 37.8 °C (73 and 100 °F). (e.g. gasoline, acetone)
Instability   0 Normally stable, even under fire exposure conditions, and is not reactive with water (e.g. helium,N2)

(NFPA, 2010)

N-OCTANE price More Price(23)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 296988 Octane anhydrous, ≥99% 111-65-9 1l $286 2018-11-13 Buy
Sigma-Aldrich 296988 Octane anhydrous, ≥99% 111-65-9 4x2l $1380 2018-11-13 Buy
TCI Chemical O0022 n-Octane >97.0%(GC) 111-65-9 25mL $15 2018-11-22 Buy
TCI Chemical O0022 n-Octane >97.0%(GC) 111-65-9 100mL $42 2018-11-22 Buy
Alfa Aesar A13181 n-Octane, 98+% 111-65-9 500ml $75.1 2018-11-15 Buy

N-OCTANE Chemical Properties,Uses,Production

Chemical Properties

colourless liquid

Chemical Properties

Octane is a colorless liquid with a gasoline-like odor. The odor threshold is 4 ppm and 48 ppm (New Jersey Fact Sheet).


n-Octane occurs in petroleum crackingproducts, gasoline, petroleum ether, andpetroleum naphtha. It is used as a solventand in organic synthesis.


A liquid alkane obtained from the light fraction of crude oil. Octane and its isomers are the principal constituents of gasoline, which is obtained as the refined light fraction from crude oil.


ChEBI: A straight chain alkane composed of 8 carbon atoms.

General Description

Colorless liquid with an odor of gasoline. Less dense than water and insoluble in water. Hence floats on water. Produces irritating vapor.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

May be incompatible with strong oxidizing agents like nitric acid. Charring may occur followed by ignition of unreacted material and other nearby combustibles. In other settings, mostly unreactive. Not affected by aqueous solutions of acids, alkalis, most oxidizing agents, and most reducing agents. When heated sufficiently or when ignited in the presence of air, oxygen or strong oxidizing agents, burns exothermically to produce mostly carbon dioxide and water.

Health Hazard

Inhalation of concentrated vapor may cause irritation of respiratory tract, depression, and pulmonary edema. Liquid can cause irritation of eyes and (on prolonged contact) irritation and cracking of skin. Ingestion causes irritation of mouth and stomach. Aspiration causes severe lung irritation, rapidly developing pulmonary edema, and central nervous system excitement, followed by depression.

Health Hazard

The toxic properties of n-octane are similarto those of other paraffinic hydrocarbons. Itis an irritant to mucous membranes, and athigh concentrations it shows narcotic actions.The narcotic concentrations in mice werereported to be 8000–10,000 ppm (Patty andYant 1929) and the fatal concentration was13,500 ppm (Flury and Zernick 1931). Deathoccurred from respiratory arrest. The acutetoxicity of n-octane is somewhat greater thanthat of n-heptane.

Fire Hazard

Flash Point (°F): 56 ℃; Flammable Limits in Air (%): 1.0-6.5; Fire Extinguishing Agents: Dry chemical, foam, carbon dioxide; Fire Extinguishing Agents Not To Be Used: Water may be ineffective; Special Hazards of Combustion Products: Not pertinent; Behavior in Fire: Vapor is heavier than fire and may travel a considerable distance to a source of ignition and flash back; Ignition Temperature (°F): 428; Electrical Hazard: Class I, Group D; Burning Rate: 6.3 mm/min.

Fire Hazard

Behavior in Fire: Vapor is heavier than air and may travel a considerable distance to a source of ignition and flash back.

Chemical Reactivity

Reactivity with Water No reaction; Reactivity with Common Materials: No reaction; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.

Safety Profile

Poison by intravenous route. May act as a simple asphyxiant. See also ARGON for a description of simple asphyxiants. A narcotic in high concentration. Human dermal exposure to undiluted octane for five hours resulted in blister formation but no anesthesia; exposure for one hour caused diffuse burning sensation. A very dangerous fire hazard and severe explosion hazard when exposed to heat, flame, or oxidizers. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALKANES.

Potential Exposure

Octane is used as a solvent; as a fuel; as an intermediate in organic synthesis; and in azeotropicdistillations.

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, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility.


UN1262 Octanes, Hazard Class: 3; Labels: 3-Flammable liquid.

Purification Methods

Extract the octane repeatedly with conc H2SO4 or chlorosulfonic acid, then wash it with water, dry and distil it. Alternatively, purify it by azeotropic distillation with EtOH, followed by washing with water to remove the EtOH, drying and distilling it. For further details, see n-heptane. It is also purified by zone melting. [Beilstein 1 H 159, 1 I 60, 1 II 122, 1 III 457, 1 IV 412.]


Reacts with strong oxidizers, causing fire and explosion hazard. Attacks some forms of plastics, rubber and coatings.

Waste Disposal

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an after burner and scrubber. All federal, state, and local environmental regulations must be observed.

N-OCTANE Preparation Products And Raw materials

Raw materials

Preparation Products

N-OCTANE Suppliers

Global( 169)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
Mainchem Co., Ltd.
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Meryer (Shanghai) Chemical Technology Co., Ltd. +86-(0)21-61259100(Shanghai) +86-(0)755-86170099(ShenZhen) +86-(0)10-62670440(Beijing)
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3B Pharmachem (Wuhan) International Co.,Ltd. 86-21-50328103 * 801、802、803、804 Mobile:18930552037
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Alfa Aesar 400-610-6006; 021-67582000
021-67582001/03/05 China 30168 84
TCI (Shanghai) Development Co., Ltd. 021-67121386 / 800-988-0390
021-67121385 China 24560 81
Energy Chemical 021-58432009 / 400-005-6266
021-58436166-800 China 44046 61

N-OCTANE Spectrum

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