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Sigma-Aldrich

Methylcyclohexane

anhydrous, ≥99%

Synonym(s):

Hexahydrotoluene

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About This Item

Linear Formula:
C6H11CH3
CAS Number:
108-87-2
Molecular Weight:
98.19
Beilstein:
505972
EC Number:
203-624-3
MDL number:
MFCD00001497
UNSPSC Code:
12352001
PubChem Substance ID:
57648404
NACRES:
NA.21

grade

anhydrous

Quality Level

100

vapor density

3.4 (vs air)

vapor pressure

37 mmHg ( 20 °C)
83.2 mmHg ( 37.7 °C)

Assay

≥99%

form

liquid

autoignition temp.

545 °F

expl. lim.

6.7 %

impurities

<0.002% water
<0.005% water (100 mL pkg)

evapn. residue

<0.0005%

refractive index

n20/D 1.422 (lit.)

bp

101 °C (lit.)

mp

−126 °C (lit.)

density

0.77 g/mL at 25 °C (lit.)

SMILES string

CC1CCCCC1

InChI

1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChI key

UAEPNZWRGJTJPN-UHFFFAOYSA-N

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Application

Methylcyclohexane may be used as a solvent for the synthesis of unsolvated n-butylmagnesium chloride by the reaction of 1-chlorobutane with magnesium powder. It may also be used as the starting material to synthesize 1-methylcyclohexanecarboxylic acid.

Packaging

View returnable container options.

Signal Word

Danger

Hazard Statements

H225,H304,H315,H336,H410

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)

24.8 °F - closed cup

Flash Point(C)

-4.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR3777
SHBR9426
SHBQ1289
SHBP4024
SHBN6269

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1-Methylcyclohexanecarboxylic acid
Haaf W
Organic Syntheses, 46, 72-72 (1966)
Thomas D Turner et al.
Journal of pharmaceutical sciences, 108(5), 1779-1787 (2018-12-28)
An analysis of the important intermolecular interactions of the active pharmaceutical ingredient lovastatin which contribute to the surface chemistry and attachment energy morphology is presented. The analysis is supported by a recent redetermination of the single-crystal structure (orthorhombic space group
Kyung Lee Park et al.
Polymers, 12(5) (2020-05-15)
The pyridylamido hafnium complex (I) discovered at Dow is a flagship catalyst among postmetallocenes, which are used in the polyolefin industry for PO-chain growth from a chain transfer agent, dialkylzinc. In the present work, with the aim to block a
Unsolvated n-butylmagnesium chloride
Bryce-Smith D and Blues ET
Organic Syntheses, 47, 113-113 (1967)
Jun Won Baek et al.
Polymers, 11(7) (2019-06-30)
Hafnium complexes have drawn attention for their application as post-metallocene catalysts with unique performance in olefin polymerization. In this work, a series of half-metallocene HfMe2 complexes, bearing a tetrahydroquinoline framework, as well as a series of [Namido,N,Caryl]HfMe2-type post-metallocene complexes, bearing
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