Skip to Content
MilliporeSigma
All Photos(1)

Documents

M49704

Sigma-Aldrich

2-Methylhexane

99%

Synonym(s):

Isoheptane

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CH3(CH2)3CH(CH3)2
CAS Number:
591-76-4
Molecular Weight:
100.20
Beilstein/REAXYS Number:
1696856
EC Number:
209-730-6
MDL number:
MFCD00009487
UNSPSC Code:
12352100
PubChem Substance ID:
24896960
NACRES:
NA.22

vapor pressure

2.27 psi ( 37.7 °C)

assay

99%

form

liquid

autoignition temp.

536 °F

expl. lim.

~7 %

refractive index

n20/D 1.384 (lit.)

bp

90 °C (lit.)

mp

−118 °C (lit.)

density

0.679 g/mL at 25 °C (lit.)

SMILES string

CCCCC(C)C

InChI

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

InChI key

GXDHCNNESPLIKD-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

Related Categories

Application

2-Methylhexane is mainly used as a model iso-alkane in studies relating to iso-alkane oxidation, vapor-liquid phase equilibria of heptane isomers and catalytic cracking.

accessory

Product No.
Description
Pricing

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

30.2 °F - closed cup

flash_point_c

-1 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

The influence of reaction temperature on the cracking mechanism of 2-methylhexane
Bamwenda GR, et al.
J. Catal., 148(2), 595-606 (1994)
2-Methylhexane cracking on Y zeolites: Catalytic cycles and reaction selectivity
Yaluris G, et al.
J. Catal., 165(2), 205-220 (1997)
Iso-alkane oxidation by aPseudomonas Part I.?Metabolism of 2-methylhexane
Thijsse GJE and Van der Linden AC
Antonie van Leeuwenhoek, 27(1), 171-179 (1961)
Intermolecular potentials for branched alkanes and the vapour-liquid phase equilibria of n-heptane, 2-methylhexane, and 3-ethylpentane
Ilja Siepmann BJ and Martin MG
Molecular Physics, 90(5), 687-694 (1997)
A A Toropov et al.
European journal of medicinal chemistry, 43(4), 714-740 (2007-07-17)
Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service