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Octane

Octane structure

CAS No:
111-65-9
Formula:
C8H18
Chemical Name:
Octane
Synonyms:
Octane;n-Octane;NSC 9822;31372-91-5
Categories:
Cosmetic Ingredient > Dissolving Agent

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Description

Colorless liquid with a gasoline-like odor.

Octane Basic Attributes

Molecular Weight：

114.23

Exact Mass：

114.23

BRN：

1696875

EC Number：

203-892-1

HScode：

2901100000

Characteristics

PSA：

XLogP3：

4.00/5.18

Appearance：

Clear colorless Liquid

Density：

0.69862 g/cm³ @ Temp: 25 °C

Melting Point：

-56.76 °C

Boiling Point：

125.67 °C @ Press: 760 Torr

Flash Point：

60 °F

Refractive Index：

1.402

Water Solubility：

H2O: 0.0007 g/L (20 ºC);ethanol: soluble (lit.)

Storage Conditions：

Flammables area

Vapor Pressure：

11 mm Hg ( 20 °C)

Vapor Density：

3.9 (vs air)

Toxicity：

Inhalation-Rat LC50: 118000 mg/m3/4 hours

Flammability characteristics：

Flammable; burning produces irritating fumes

Explosive limit：

0.8-6.5%(V)

Odor：

Gasoline-like

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 1262 3/PG 2

wgk germany：

hazard class code：

11-38-50/53-65-67

safety instructions：

9-16-29-33-60-61-62

RTECS Number：

RG8400000

Marks：

F,Xn,N

Storage features：

Low temperature, ventilated and dry warehouse; anti-open flame; spark; friction; stored separately from oxidant

Explosive characteristics：

Explosive when mixed with air

Stability/Shelf Life：

Stable. Highly flammable. Readily forms explosive mixtures with air. Incompatible with oxidizing agents.

Precautionary statement(s)：

P210-P273-P301 + P310-P304 + P340 + P312-P331-P391

Hazard Statements：

H225-H304-H315-H336-H410

Toxicity

Toxicity class：

practically nontoxic

Octane Use and Manufacturing

Methods of Manufacturing

Octane is found in petroleum. Laboratory preparation can be synthesized by bromobutane. Take 68.5g (0.5mol) of bromobutane and add it to a flask containing 23g (1mol) of sodium metal in small strips. If it does not react, heat it slightly. After the addition, the reactant was placed for 1-2h, and then ethanol and water were refluxed for 3h to hydrolyze the reaction bromobutane. The upper organic phase was separated, washed with water, dried with anhydrous magnesium sulfate, and collected by fractional distillation. Distillation at 126°C yielded 15 g of n-octane.

Uses

Solvent. Organic Synthesis. Gas chromatography analysis standard.

Computed Properties

Molecular Weight:114.23
XLogP3:3.9
Rotatable Bond Count:5
Exact Mass:114.140850574
Monoisotopic Mass:114.140850574
Heavy Atom Count:8
Complexity:25
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Octanol

Carbon dioxide

Formaldehyde

Dichloromethane

Downstream Products

Ethylbenzene

Toluene

Benzene

o-Xylene

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Guide of Octane

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
Learn More Other Chemicals

Octane

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