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Sigma-Aldrich

Octane

reagent grade, 98%

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:
12352100
PubChem Substance ID:
329756072
NACRES:
NA.21

grade

reagent grade

Quality Level

200

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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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 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

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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)
Adsorption equilibrium and kinetics of dibenzothiophene from n-octane on bamboo charcoal.
Zhao D, et al.
Applied Surface Science, 254(10), 3242-3247 (2008)
Benjamin D Wiltshire et al.
Journal of hazardous materials, 409, 124945-124945 (2021-01-09)
Protective clothing must repel hazardous liquids such as oils, acids, and solvents, which often exhibit low surface tension. The low surface tension liquid repellency of textiles is currently characterized qualitatively, considering only the first thirty seconds of wetting. This study
Fernando E Maturi et al.
Materials (Basel, Switzerland), 12(6) (2019-03-25)
Mesoporous silica nanoparticles prepared by organic template-driven synthesis have been successfully explored as carriers of the drug-derivate green luminescent complex of terbium (III) with the nonsteroidal anti-inflammatory drug ketoprofen. The terbium (III) complex was synthesized by reacting ketoprofen sodium salt
Catalytic cracking of n-octane over alkali-treated MFI zeolites.
Jung JS, et al.
Applied Catalysis A: General, 288(1), 149-157 (2005)
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