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M49704

Sigma-Aldrich

2-Methylhexane

99%

Synonym(s):

Isoheptane

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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

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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)

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2-Methylhexane cracking on Y zeolites: Catalytic cycles and reaction selectivity
Yaluris G, et al.
J. Catal., 165(2), 205-220 (1997)
The influence of reaction temperature on the cracking mechanism of 2-methylhexane
Bamwenda GR, et al.
J. Catal., 148(2), 595-606 (1994)
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)
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)
Yulia Kaluzhny et al.
Alternatives to laboratory animals : ATLA, 43(2), 101-127 (2015-05-23)
The 7th Amendment to the EU Cosmetics Directive and the EU REACH Regulation have reinforced the need for in vitro ocular test methods. Validated in vitro ocular toxicity tests that can predict the human response to chemicals, cosmetics and other
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