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M49801

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24896961
EC Number:
209-643-3
Beilstein/REAXYS Number:
1718739
MDL number:
MFCD00009408
Assay:
99%
Form:
liquid
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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

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.

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

30.2 °F - closed cup

flash_point_c

-1 °C - closed cup

Regulatory Information

危险化学品

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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ1095
MKCQ1889
MKCG5080
MKCC1683
MKBW2372V

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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)
Alkane oxygenation catalysed by gold complexes
Shul'pin GB, et al.
Tetrahedron Letters, 42(41), 7253-7256 (2001)
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)
View All Related Papers

Global Trade Item Number

SKUGTIN
M49801-5G04061834059349
M49801-25G04061834059332