33117-M

Cyclohexane

puriss. p.a., ACS reagent, ≥99.5% (GC)

• 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
• PubChem Substance ID: 329754457
• NACRES: NA.21

Properties

• grade: ACS reagent; puriss. p.a.
• vapor density: 2.9 (vs air)
• vapor pressure: 168.8 mmHg ( 37.7 °C); 77 mmHg ( 20 °C)
• Assay: ≥99.5% (GC)
• form: liquid
• autoignition temp.: 500 °F
• expl. lim.: 9 %
• impurities: ≤0.001% free acid (as HCl); ≤0.001% non-volatile matter; ≤0.01% water (Karl Fischer); ≤0.05% aromatic substances (as C₆H₆); ≤0.05% cyclohexene (C₆H₁₀)
• color: APHA: ≤10
• refractive index: n20/D 1.4250-1.4280; n20/D 1.426 (lit.)
• bp: 80.7 °C (lit.)
• mp: 4-7 °C (lit.)
• transition temp: solidification point 5.5-6.5 °C
• density: 0.779 g/mL at 25 °C (lit.)
• cation traces: Al: ≤0.5 mg/kg; B: ≤0.02 mg/kg; Ba: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.02 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sn: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• suitability: passes test for reaction against H₂SO₄
• SMILES string: C1CCCCC1
• InChI: 1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
• InChI key: XDTMQSROBMDMFD-UHFFFAOYSA-N

Description

General description

Cyclohexane undergoes oxidation in the presence of various oxidants such as hydrogen peroxide, tert-butyl hydroperoxide and molecular oxygen.

Application

Cyclohexane has been used to prepare a 1.3M solution of sec-butyllithium. It may be used as a starting reagent for the synthesis of adipic acid and ε-caprolactam.

Other Notes

Pertains only in Germany: unversteuert

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): -0.4 °F - closed cup
• Flash Point(C): -18.00 °C - closed cup