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412236

Sigma-Aldrich

Octane

reagent grade, 98%

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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

grade

reagent grade

Quality Level

vapor density

3.9 (vs air)

vapor pressure

11 mmHg ( 20 °C)

Assay

98%

form

liquid

autoignition temp.

428 °F

expl. lim.

6.5 %

refractive index

n20/D 1.398 (lit.)

bp

125-127 °C (lit.)

mp

−57 °C (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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This Item
65704229698874820
Octane reagent grade, 98%

Sigma-Aldrich

412236

Octane

Essential Grade
Octane electronic grade, ≥99.999% metals basis, ≥99% (CP)

Sigma-Aldrich

657042

Octane

-
Octane anhydrous, ≥99%

Sigma-Aldrich

296988

Octane

-
Octane analytical standard

Supelco

74820

Octane

-
vapor density

3.9 (vs air)

vapor density

3.9 (vs air)

vapor density

3.9 (vs air)

vapor density

3.9 (vs air)

vapor pressure

11 mmHg ( 20 °C)

vapor pressure

11 mmHg ( 20 °C)

vapor pressure

11 mmHg ( 20 °C)

vapor pressure

11 mmHg ( 20 °C)

assay

98%

assay

≥99% (CP), ≥99.999% metals basis

assay

≥99%

assay

≥99.7% (GC)

form

liquid

form

liquid

form

liquid

form

-

autoignition temp.

428 °F

autoignition temp.

428 °F

autoignition temp.

428 °F

autoignition temp.

428 °F

General description

Octane is an aliphatic hydrocarbon that is widely used as a solvent in paint, adhesives, and liquid process photocopiers.

Application

Octane can be used as a solvent in the:
  • Selective hydrogenation of furfural.
  • Metal-free oxidation of aromatic thiophenes to sulfones.
  • Ni-catalyzed β-alkylation of alcohols.
  • Enzyme-catalyzed epoxidation of unconjugated terminal alkenes.

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


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Adsorption equilibrium and kinetics of dibenzothiophene from n-octane on bamboo charcoal.
Zhao D, et al.
Applied Surface Science, 254(10), 3242-3247 (2008)
A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane.
Westbrook CK, et al.
Combustion and Flame, 156(1), 181-199 (2009)
Catalytic cracking of n-octane over alkali-treated MFI zeolites.
Jung JS, et al.
Applied Catalysis A: General, 288(1), 149-157 (2005)
Heat capacities and densities of liquid n-octane, n-nonane, n-decane, and n-hexadecane at temperatures from 318.15 K to 373.15 K and at pressures up to 10 MPa.
Banipal TS, et al.
The Journal of Chemical Thermodynamics, 23(10), 923-931 (1991)
Effective production of octane from biomass derivatives under mild conditions.
Xu W, et al.
ChemSusChem, 4(12), 1758-1761 (2011)

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