1.02832

Cyclohexane

EMPLURA^®

• Synonym(s): Hexahydrobenzene, Hexamethylene, Naphthene
• Empirical Formula (Hill Notation): C₆H₁₂
• CAS Number: 110-82-7
• Molecular Weight: 84.16
• Beilstein/REAXYS Number: 1900225
• MDL number: MFCD00003814
• UNSPSC Code: 12191504
• EC Index Number: 203-806-2
• NACRES: NA.21

Properties

• vapor density: 2.9 (vs air)
• Quality Level: 200
• vapor pressure: 168.8 mmHg ( 37.7 °C); 77 mmHg ( 20 °C)
• product line: EMPLURA^®
• assay: ≥99% (GC)
• form: liquid
• autoignition temp.: 500 °F
• potency: >5000 mg/kg LD₅₀, oral (Rat); >2000 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 9 %
• impurities: ≤0.001% Free acid (as CH₃COOH); ≤0.05% Water
• refractive index: n20/D 1.426 (lit.)
• kinematic viscosity: 1.26 cSt(20 °C)
• bp: 80.7 °C (lit.)
• mp: 4-7 °C (lit.)
• transition temp: flash point -18 °C
• solubility: 0.05 g/L
• density: 0.779 g/mL at 25 °C (lit.)
• storage temp.: 2-30°C
• SMILES string: C1CCCCC1
• InChI: 1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
• InChI key: XDTMQSROBMDMFD-UHFFFAOYSA-N

Description

Application

Cyclohexane can be used as a solvent:

• To study thermal degradation of low-density polyethylene (LDPE) wastes.
• In the enantioselective reductive alkylation reaction in the presence of Ir-ferrocenyl diphosphine as a catalyst.
• To synthesize hydroxyl-terminated polybutadiene (HTPB) via anionic polymerization of butadiene in the presence of an initiator.
• In the enantioselective hydrogenation of ethyl pyruvate to R(+)ethyl lactate in the presence of Pt/zeolite catalyst.

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Free acid (as CH₃COOH): ≤ 0.001 %
Density (d 20 °C/ 4 °C): 0.778 - 0.779
Readily carbonizable substances: conforms
Water: ≤ 0.05 %

Legal Information

EMPLURA is a registered trademark of Merck KGaA, Darmstadt, Germany

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