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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)

Key Documents

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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

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.

Class II Designated Chemical Substances

prtr

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

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

412236-BULK: + 412236-500ML:4548173940328 + 412236-100ML:4548173940311 + 412236-VAR: + 412236-1L:4548173922621 + 412236-2ML: + 412236-10L:

jan

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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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