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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/REAXYS Number:
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

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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

signalword

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

3 - Flammable liquids

wgk_germany

WGK 2

flash_point_f

55.4 °F - closed cup

flash_point_c

13 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR4726
STBL3946
SHBR7956
STBL3189
SHBR4620

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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)
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
Effective production of octane from biomass derivatives under mild conditions.
Xu W, et al.
ChemSusChem, 4(12), 1758-1761 (2011)
Xian-Long Du et al.
ChemSusChem, 8(20), 3489-3496 (2015-09-15)
The N-methylation of amines with CO2 and H2 is an important step in the synthesis of bioactive compounds and chemical intermediates. The first heterogeneous Au catalyst is reported for this methylation reaction with good to excellent yields. The average turnover
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