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M49801

Sigma-Aldrich

3-Methylhexane

99%

Synonym(s):

(±)-3-Methylhexane, 2-Ethylpentane

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About This Item

Linear Formula:
CH3CH2CH2CH(CH3)CH2CH3
CAS Number:
589-34-4
Molecular Weight:
100.20
Beilstein:
1718739
EC Number:
209-643-3
MDL number:
MFCD00009408
UNSPSC Code:
12352100
PubChem Substance ID:
24896961
NACRES:
NA.22

vapor pressure

2.13 psi ( 37.7 °C)

Quality Level

100

Assay

99%

form

liquid

autoignition temp.

536 °F

expl. lim.

~7 %

refractive index

n20/D 1.388 (lit.)

bp

91 °C (lit.)

mp

−119 °C (lit.)

density

0.687 g/mL at 25 °C (lit.)

SMILES string

CCCC(C)CC

InChI

1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3

InChI key

VLJXXKKOSFGPHI-UHFFFAOYSA-N

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Application

3-Methylhexane can be used as a model alkane to study:
  • Cu-catalyzed hydrocarboxylation of simple alkanes to corresponding branched monocarboxylic acids in aqueous medium at low-temperature.
  • Au-catalyzed oxygenation of alkanes with H2O2 in acetonitrile.
  • FeCI3 catalyzed photooxygenation of simple alkanes to corresponding alcohols in presence of atmospheric O2.

3-Methylhexane is one of the isomer of heptane. It can be used as a reactant in the synthesis of dimethyl isomers (dimethyl pentanes) using Pt/WZA catalyst.

Signal Word

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 Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

30.2 °F - closed cup

Flash Point(C)

-1 °C - closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Iron (III) chloride catalysed photooxygenation of alcohol solutions of alkanes by atmospheric oxygen
Shul?pin GB and Druzhinina AN
Mendeleev Communications, 2(1), 36-37 (1992)
Alkane oxygenation catalysed by gold complexes
Shul'pin GB, et al.
Tetrahedron Letters, 42(41), 7253-7256 (2001)
Alumina-doped Pt/WOx/ZrO2 catalysts for n-heptane isomerization
Hua W and Sommer J
Applied Catalysis A: General, 232(1-2), 129-135 (2002)
Mild, single-pot hydrocarboxylation of linear C5-C9 alkanes into branched monocarboxylic C6-C10 acids in copper-catalyzed aqueous systems
Kirillova MV, et al.
Applied Catalysis A: General, 401(1-2), 106-113 (2011)
The influence of fuel structure on combustion as demonstrated by the isomers of heptane: a rapid compression machine study.
Silke EJ, et al.
Proceedings of the Combustion Institute, 30(2), 2639-2647 (2005)
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Protocols

ASTM D5134: GC Analysis of Hydrocarbons on Petrocol® DH 50.2

-1,3-Dimethylcyclopentane; 1,1-Dimethylcyclopentane; 2,2,3-Trimethylpentane; 2,2-Dimethylbutane; 2,2-Dimethylhexane; 2,2-Dimethylpentane; 2,3-Dimethylbutane; 2,3-Dimethylhexane; 2,4-Dimethylheptane; 2,4-Dimethylpentane; 2,5-Dimethylheptane; 2-Methylhexane; 2-Methylpentane; 3,3-Dimethylpentane; 3,4-Dimethylhexane; 3-Ethylpentane; 3-Methyloctane; 4-Methylheptane; Ethylbenzene; Ethylcyclopentane; 2,6-Dimethylheptane; 3-Ethylheptane

GC Analysis of Hydrocarbons in Gasoline on Petrocol® DH

Protocol for GC Analysis of Hydrocarbons in Gasoline on Petrocol® DH

GC Analysis of Hydrocarbons in Gasoline on Equity®-1 (15 m x 0.10 mm I.D., 0.10 μm), Fast GC Analysis

-Xylene; Nonane; Propylbenzene; Mesitylene; 1,2,4-Trimethylbenzene; 1,2,3-Trimethylbenzene; 1,3-Diethylbenzene; 1,4-Dimethyl-2-ethylbenzene; 1,2-Dimethyl-4-ethylbenzene; Durene; 1,2,3,5-Tetramethylbenzene; 1,2,3,5-Tetramethylbenzene; 2-Methylnaphthalene (β)

GC Analysis of Hydrocarbons in Gasoline on Petrocol® DH, Isothermal

GC Analysis of Hydrocarbons in Gasoline on Petrocol® DH, Isothermal

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