676861

Cyclohexane

ACS reagent, ≥99%

• Empirical Formula (Hill Notation): C₆H₁₂
• CAS Number: 110-82-7
• Molecular Weight: 84.16
• Beilstein/REAXYS Number: 1900225
• EC Number: 203-806-2
• MDL number: MFCD00003814
• UNSPSC Code: 12191502
• PubChem Substance ID: 329760657
• NACRES: NA.21

Properties

• grade: ACS reagent
• agency: suitable for EPA 1613
• 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

Description

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.

Safety Information

• pictograms: GHS02,GHS08,GHS07,GHS09
• signalword: Danger
• hcodes: H225,H304,H315,H336,H410
• pcodes: 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: 3 - Flammable liquids
• wgk_germany: WGK 2
• flash_point_f: -4.0 °F - closed cup
• flash_point_c: -20 °C - closed cup