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Merck

296988

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
UNSPSC Code:
12352001
NACRES:
NA.21
PubChem Substance ID:
57648395
EC Number:
203-892-1
Beilstein/REAXYS Number:
1696875
MDL number:
MFCD00009556
grade:
anhydrous
assay:
≥99%
bp:
125-127 °C (lit.)
vapor pressure:
11 mmHg ( 20 °C)

Product Name

Octane, anhydrous, ≥99%

InChI key

TVMXDCGIABBOFY-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCCCC

grade

anhydrous

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.)

Quality Level

100

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Related Categories

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).


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.

Other Notes

Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.

Packaging

View returnable container options.

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

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
SHBT4312
SHBT1481
SHBT1060
SHBS7802
SHBS4564

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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)
Eagleson M.
Concise Encyclopedia Chemistry, 743-743 (1994)
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