179191

Cyclohexane

ACS reagent, ≥99%

• Empirical Formula (Hill Notation): C₆H₁₂
• CAS Number: 110-82-7
• Molecular Weight: 84.16
• Beilstein: 1900225
• EC Number: 203-806-2
• MDL number: MFCD00003814
• UNSPSC Code: 12191502
• eCl@ss: 39010606
• PubChem Substance ID: 329751580
• NACRES: NA.21

Properties

• grade: ACS reagent
• Quality Level: 200
• 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.)
• 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.

Safety Information

• Pictograms: GHS02,GHS07,GHS08,GHS09
• Signal Word: Danger
• Hazard Statements: H225 - H304 - H315 - H336 - H410
• Precautionary Statements: P210 - P233 - P273 - P301 + P310 - P303 + P361 + P353 - P331
• 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): -4.0 °F - closed cup
• Flash Point(C): -20 °C - closed cup