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Merck

412236

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
UNSPSC Code:
12352100
NACRES:
NA.21
PubChem Substance ID:
329756072
EC Number:
203-892-1
Beilstein/REAXYS Number:
1696875
MDL number:
MFCD00009556
Assay:
98%
Grade:
reagent grade
Vapor pressure:
11 mmHg ( 20 °C)

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InChI key

TVMXDCGIABBOFY-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCCCC

grade

reagent grade

vapor density

3.9 (vs air)

vapor pressure

11 mmHg ( 20 °C)

assay

98%

form

liquid

autoignition temp.

428 °F

expl. lim.

6.5 %

dilution

(for analytical testing)

Quality Level

200

mp

−57 °C (lit.)

density

0.703 g/mL at 25 °C (lit.)

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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.

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

WGK 2

flash_point_f

55.4 °F - closed cup

flash_point_c

13 °C - closed cup

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Certificates of Analysis (COA)

Lot/Batch Number
STBK8478
STBK6058
STBK4331
STBK0835
STBJ8436

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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)
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)
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
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