676861

Sigma-Aldrich

Cyclohexane

ACS reagent, ≥99%

Empirical Formula (Hill Notation):
C6H12
CAS Number:
Molecular Weight:
84.16
Beilstein/REAXYS Number:
1900225
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21
Pricing and availability is not currently available.

Quality Level

grade

ACS reagent

vapor density

2.9 (vs air)

vapor pressure

168.8 mmHg ( 37.7 °C)
77 mmHg ( 20 °C)

assay

≥99%

form

liquid

autoignition temp.

500 °F

expl. lim.

9 %

impurities

H2SO4, passes test
≤0.02% Water

evapn. residue

≤0.002%

color

APHA: ≤10

refractive index

n20/D 1.426 (lit.)

bp

80.7 °C (lit.)

mp

4-7 °C (lit.)

solubility

ethanol: miscible(lit.)
water: insoluble(lit.)

density

0.779 g/mL at 25 °C (lit.)

SMILES string

C1CCCCC1

InChI

1S/C6H12/c1-2-4-6-5-3-1/h1-6H2

InChI key

XDTMQSROBMDMFD-UHFFFAOYSA-N

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General description

Cyclohexane, a cycloalkane, is a combustible liquid with petrol like odor. It can be synthesized by hydrogenation of benzene in the presence of nickel or platinum catalysts. Cyclohexane is the precursor for the synthesis of polyamides. Cyclohexane ring forms the structural unit of many naturally occurring products. The conformational changes of cyclohexane have been investigated over the temperature range of 100-1200°C. Conversion of cyclohexane to cyclohexanol and cyclohexanone, via oxidation in the presence of Cu-nanoclusters anchored on nanocrystalline Cr2O3 has been reported.

Application

Cyclohexane has been used to prepare iodine solution for analyzing the influence of vibrational relaxation of I2 molecules on structure using picosecond X-ray liquidography.

Packaging

4 L in aluminum bottle

Signal Word

Danger

Target Organs

Central nervous system

RIDADR

UN1145 - class 3 - PG 2 - Cyclohexane

WGK Germany

WGK 2

Flash Point(F)

-0.4 °F - closed cup

Flash Point(C)

-18.0 °C - closed cup

Eagleson M.
Concise Encyclopedia Chemistry, 296-296 (1994)
Conformational transitions in cyclohexane and benzol.
Melker AI, et al.
SPIE Proc., 5127 (2003)
Room temperature selective oxidation of cyclohexane over Cu-nanoclusters supported on nanocrystalline Cr2O3.
Sarkar B, et al.
Green Chemistry, 14(9), 2600-2606 (2012)
Jae Hyuk Lee et al.
Journal of the American Chemical Society, 135(8), 3255-3261 (2013-02-05)
Molecules are often born with high energy and large-amplitude vibrations. In solution, a newly formed molecule cools down by transferring energy to the surrounding solvent molecules. The progression of the molecular and solute-solvent cage structure during this fundamental process has...
Amanda L Pitts et al.
Journal of the American Chemical Society, 136(24), 8614-8625 (2014-05-16)
Carbon-hydrogen bond activation reactions of four cycloalkanes (C5H10, C6H12, C7H14, and C8H16) by the Cp'Rh(CO) fragments (Cp' = η(5)-C5H5 (Cp) or η(5)-C5Me5 (Cp*)) were modeled theoretically by combining density functional and coupled cluster theories, and their reaction rates were measured...

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