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74821

Sigma-Aldrich

Octane

puriss. p.a., ≥99.0% (GC)

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/REAXYS Number:
1696875
EC Number:
203-892-1
MDL number:
MFCD00009556
UNSPSC Code:
12352100
PubChem Substance ID:
329765877
NACRES:
NA.21
assay:
≥99.0% (GC)
technique(s):
GC/GC: suitable
bp:
125-127 °C (lit.)
vapor pressure:
11 mmHg ( 20 °C)

vapor density

3.9 (vs air)

vapor pressure

11 mmHg ( 20 °C)

grade

puriss. p.a.

assay

≥99.0% (GC)

form

liquid

autoignition temp.

428 °F

expl. lim.

6.5 %

technique(s)

GC/GC: suitable

impurities

≤0.02% water

evapn. residue

≤0.002%

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.)

cation traces

Al: ≤0.5 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤0.5 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

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 (n-Octane) is a linear alkane hydrocarbon. It has 18 structural isomeric forms. Octane is formed during the hydrogenation of coal. Its octane rating has been reported to be -17.[1] Flame ignition temperatures of isomers of octane and decane have been determined.[2]

Application

Octane (n-Octane) may be used in the preparation of mesoporous silica-encased gold nanorods (MS-GNRs).[3]

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_germany

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
BCCC5096
BCBW1807

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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
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)
Eagleson M.
Concise Encyclopedia Chemistry, 743-743 (1994)
Nikolai A Sinkov et al.
Talanta, 103, 252-259 (2012-12-04)
A three-dimensional extension of a previously developed metric termed cluster resolution is presented. The cluster resolution metric considers confidence ellipses (here three-dimensional confidence ellipsoids) around clusters of points in principal component or latent variable space. Cluster resolution is defined as
Mariela Ivanova et al.
Electrophoresis, 24(6), 992-998 (2003-03-27)
Microemulsion electrokinetic chromatography was applied for the separation of levetiracetam from other antiepileptic drugs (primidone, phenobarbital, phenytoin, lamotrigine and carbamazepine) that are potentially coadministered in therapy of patients. The influence of the composition of the microemulsion system (with sodium dodecyl
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