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179191 Sigma-Aldrich

Cyclohexane

ACS reagent, ≥99%

  • CAS Number 110-82-7

  • Empirical Formula (Hill Notation) C6H12

  • Molecular Weight 84.16

  •  Beilstein/REAXYS Number 1900225

  •  EC Number 203-806-2

  •  MDL number MFCD00003814

  •  eCl@ss 39010606

  •  PubChem Substance ID 329751580

  •  NACRES NA.21

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Properties

Related Categories ACS Grade, ACS Grade Solvents, ACS and Reagent Grade Solvents, Amber Glass Bottles, Carbon Steel Cans with NPT Threads,
Quality Level   200
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 (darkened)
  ≤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.)
density   0.779 g/mL at 25 °C (lit.)
storage temp.   room temp
SMILES string   C1CCCCC1
InChI   1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
InChI key   XDTMQSROBMDMFD-UHFFFAOYSA-N

Description

General description

Cyclohexane is a cyclic alkane that predominantly exists in chair conformation due to higher stability. It participates as starting reagent in the photonitrosylation process (PNC process) and affords ε-caprolactum. Its oxidation by employing various oxidants such as hydrogen peroxide, tert-butyl hydroperoxide and molecular oxygen has been reported.

Application

Cyclohexane has been used in the following studies:
• As a solvent in the synthesis of europium dibenzoylmethide triethylammonium (EuD4TEA).
• Preparation of poly(dimethylsiloxane) (PDMS) microchip.
• As a solvent in the two-solvent (cyclohexane/water) deposition method for the preparation of monometallic 5wt% Ni containing catalysts.

Cyclohexane may undergo oxidation using hydrogen peroxide as oxidant and in the presence of a polyoxotungstate catalyst to form cyclohexanone and cyclohexanol as the main products. Its dehydrogenation in the presence of Ni-Cu/SiO2 catalysts forms benzene in good yield.

Packaging

1, 2.5, 4×4 L in glass bottle

18 L in steel drum

500 mL in glass bottle

Safety & Documentation

Safety Information

Signal word 
Danger
Hazard statements 
Target organs 
Central nervous system
RIDADR 
UN1145 - class 3 - PG 2 - Cyclohexane
WGK Germany 
WGK 2
RTECS 
GU6300000
Flash Point(F) 
-4.0 °F - closed cup
Flash Point(C) 
-20 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Protocols & Articles

Articles

Pressure-Temperature Calculator for Solvents

*Calculations provide estimated results based on Antoine's Coefficients and their associated temperature range values. Antoine's Coefficients were obtained from the National Institute of Standards an...

Peer-Reviewed Papers
15

References

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