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296988

Sigma-Aldrich

Octane

anhydrous, ≥99%

Synonym(s):
n-Octane
Linear Formula:
CH3(CH2)6CH3
CAS Number:
Molecular Weight:
114.23
Beilstein:
1696875
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21

Quality Level

grade

anhydrous

vapor density

3.9 (vs air)

vapor pressure

11 mmHg ( 20 °C)

assay

≥99%

form

liquid

autoignition temp.

428 °F

expl. lim.

6.5 %

impurities

<0.002% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0003%

refractive index

n20/D 1.398 (lit.)

bp

125-127 °C (lit.)

mp

−57 °C (lit.)

solubility

ethanol: soluble(lit.)

density

0.703 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCC

InChI

1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

InChI key

TVMXDCGIABBOFY-UHFFFAOYSA-N

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General description

Octane is linear alkane that can be synthesized from furfural, a renewable biomass resource. It can undergo catalytic cracking over alkali-treated MFI (Mordenite Framework Inverted) zeolites to mainly form primary cracking products.

Packaging

1, 2, 4×2 L in Sure/Seal™
100 mL in Sure/Seal™
20 L in Pure-Pac™ 2

Other Notes

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

Legal Information

Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

Signal Word

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

55.4 °F - closed cup

Flash Point(C)

13 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificate of Analysis

Certificate of Origin

Catalytic cracking of n-octane over alkali-treated MFI zeolites.
Jung JS, et al.
Applied Catalysis A: General, 288(1), 149-157 (2005)
Ignition of non-premixed counterflow flames of octane and decane isomers.
Liu N, et al.
Proceedings of the Combustion Institute, 34(1), 903-910 (2013)
Effective production of octane from biomass derivatives under mild conditions.
Xu W, et al.
ChemSusChem, 4(12), 1758-1761 (2011)
Nai-Tzu Chen et al.
Theranostics, 4(8), 798-807 (2014-06-24)
The unique optical properties of gold nanorods (GNRs) have recently drawn considerable interest from those working in in vivo biomolecular sensing and bioimaging. Especially appealing in these applications is the plasmon-enhanced photoluminescence of GNRs induced by two-photon excitation at infrared
Eagleson M.
Concise Encyclopedia Chemistry, 743-743 (1994)

Protocols

GC Analysis of Total Petroleum Hydrocarbons (TPH) on SLB®-5ms

Separation of Hexane; Heptane; Octane; Nonane; Decane; Undecane; Dodecane; Tetradecane; Hexadecane; Octadecane; Eicosane; Tetracosane; Octacosane; Dotriacontane; Hexatriacontane; Tetracontane; Tetratetracontane

ASTM D5134: GC Analysis of Hydrocarbons on Petrocol® DH 50.2

-1,3-Dimethylcyclopentane; 1,1-Dimethylcyclopentane; 2,2,3-Trimethylpentane; 2,2-Dimethylbutane; 2,2-Dimethylhexane; 2,2-Dimethylpentane; 2,3-Dimethylbutane; 2,3-Dimethylhexane; 2,4-Dimethylheptane; 2,4-Dimethylpentane; 2,5-Dimethylheptane; 2-Methylhexane; 2-Methylpentane; 3,3-Dimethylpentane; 3,4-Dimethylhexane; 3-Ethylpentane; 3-Methyloctane; 4-Methylheptane; Ethylbenzene; Ethylcyclopentane; 2,6-Dimethylheptane; 3-Ethylheptane

GC Analysis of Hydrocarbons in Gasoline on Equity®-1 (15 m x 0.10 mm I.D., 0.10 μm), Fast GC Analysis

-Xylene; Nonane; Propylbenzene; Mesitylene; 1,2,4-Trimethylbenzene; 1,2,3-Trimethylbenzene; 1,3-Diethylbenzene; 1,4-Dimethyl-2-ethylbenzene; 1,2-Dimethyl-4-ethylbenzene; Durene; 1,2,3,5-Tetramethylbenzene; 1,2,3,5-Tetramethylbenzene; 2-Methylnaphthalene (β)

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