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Safety Information

296988

Sigma-Aldrich

Octane

anhydrous, ≥99%

Synonym(s):

n-Octane

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About This Item

Linear Formula:
CH3(CH2)6CH3
CAS Number:
111-65-9
Molecular Weight:
114.23
Beilstein:
1696875
EC Number:
203-892-1
MDL number:
MFCD00009556
UNSPSC Code:
12352001
PubChem Substance ID:
57648395
NACRES:
NA.21

grade

anhydrous

Quality Level

100

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.

Application


  • A photonic crystal material for the online detection of nonpolar hydrocarbon vapors.: Research on a novel photonic crystal material aimed at the efficient detection of nonpolar hydrocarbons such as octane, enhancing safety and monitoring in chemical processing environments (Bolshakov et al., 2022).


Packaging

View returnable container options.

Other Notes

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

Legal Information

Pure-Pac is a registered trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class II Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

296988-4X2L:4548173936208
296988-20L-P2:
296988-100ML:4548173936178
296988-1L:4548173936185
296988-2L:4548173936192
296988-50L-P2:
296988-VAR:
296988-6X1L:
296988-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
STBK6226
STBK4564
SHBN8575
SHBN6810
SHBN3807

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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
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)
Catalytic cracking of n-octane over alkali-treated MFI zeolites.
Jung JS, et al.
Applied Catalysis A: General, 288(1), 149-157 (2005)
Eagleson M.
Concise Encyclopedia Chemistry, 743-743 (1994)
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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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