Compound: CYCLOHEXANE
SMILES: C1CCCCC1
InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N
Synonyms: CYCLOHEXANE, 110-82-7, Hexamethylene, Hexahydrobenzene, Hexanaphthene, Cyclohexan, Cykloheksan, Benzene, hexahydro-, Cicloesano, Cyclohexaan, Benzenehexahydride, RCRA waste number U056, Caswell No. 269, CCRIS 3928, EPA Pesticide Chemical Code 025901, NSC-406835, 48K5MKG32S, DTXSID4021923, AI3-08222, DTXCID701923, CHEBI:29005, Benzene hexahydride, RefChem:6634, 203-806-2, hexahydro-Benzene, cyclo-hexane, NSC 406835, MFCD00003814, 12217-02-6, Acid red 300, Cyclohexane, HPLC Grade, Cyclohexaan [Dutch], Cyclohexan [German], Cicloesano [Italian], Cykloheksan [Polish], Ciclohexano, Cyclohexane, ACS reagent, >=99%, Cyclohexane, for HPLC, >=99.7%, HSDB 60, EINECS 203-806-2, RCRA waste no. U056, cylcohexane, cylohexane, UNII-48K5MKG32S, Zyklohexan, Cyclohexane HPLC grade, Cyclohexane, for HPLC, Cyclohexane, ACS Grade, CYCLOHEXANE [MI], CYCLOHEXANE [FCC], SCHEMBL118, SCHEMBL476, CYCLOHEXANE [HSDB], bmse000545, WLN: L6TJ, EC 203-806-2, SCHEMBL2968, SCHEMBL5041, CYCLOHEXANE [MART.], SCHEMBL29263, SCHEMBL64924, CYCLOHEXANE [USP-RS], ghl.PD_Mitscher_leg0.242, Cyclohexane, LR, >=99%, CHEMBL15980, SCHEMBL100883, SCHEMBL143416, SCHEMBL180754, SCHEMBL210744, SCHEMBL274876, SCHEMBL286850, SCHEMBL380078, SCHEMBL827014, SCHEMBL974360, SCHEMBL974724, SCHEMBL974987, SCHEMBL975167, SCHEMBL975744, SCHEMBL976278, Cyclohexane, JIS special grade, SCHEMBL1677015, SCHEMBL2522614, SCHEMBL4130638, SCHEMBL4140476, SCHEMBL4141227, SCHEMBL5085643, SCHEMBL5408838, SCHEMBL7690838, SCHEMBL7695197, Cyclohexane, analytical standard, Cyclohexane, p.a., 99.0%, Cyclohexane [for HPLC Solvent], Cyclohexane, anhydrous, 99.5%, Cyclohexane, AR, >=99.5%, Tox21_201087, MSK001505, NSC406835, STL283116, Cyclohexane, for HPLC, >=99.9%, AKOS000119975, Cyclohexane, HPLC grade, >=99.9%, MSK001505-100M, UN 1145, Cyclohexane packed in clear glass ampule, Cyclohexane 2000 microg/mL in Methanol, MSK001505-1000M, NCGC00248918-01, NCGC00258639-01, CAS-110-82-7, Cyclohexane, puriss., >=99.5% (GC), Cyclohexane, SAJ first grade, >=99.0%, Cyclohexane, Laboratory Reagent, >=99.8%, Cyclohexane, p.a., ACS reagent, 99.0%, Cyclohexane [UN1145]  [Flammable liquid], Cyclohexane Solution in Methanol, 100ug/mL, Cyclohexane, UV HPLC spectroscopic, 99.5%, NS00003725, Cyclohexane Solution in Methanol, 1000ug/mL, Cyclohexane, ACS spectrophotometric grade, >=99%, F046756, Q211433, InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H, Cyclohexane, HPLC UV/IR isocratic grade, min. 99.9%, Cyclohexane, puriss. p.a., ACS reagent, >=99.5% (GC), ASTM Method D5191 Vapor Pressure - 22.5 kPa (3.26 psi), Phthalate ester quality control substance in polyvinyl chloride, Cyclohexane, Pharmaceutical Secondary Standard; Certified Reference Material, Quality control substance of phosphate ester flame retardant in polyvinyl chloride
Theoretical properties:
molecular_formula: C6H12
molecular_weight: 84.16 g/mol
exact_mass: 84.093900383 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 0
rotatable_bond_count: 0
heavy_atom_count: 6
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless mobile liquid
color: Colorless mobile liquid
odor: Solvent odor; pungent when impure
boiling_point: 177.3 °F at 760 mmHg (NTP, 1992)
melting_point: 43.7 °F (NTP, 1992)
density: 0.779 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: less than 1 mg/mL at 63 °F (NTP, 1992)
flash_point: -4 °F (NTP, 1992)
vapor_pressure: 95 mmHg at 68 °F ; 100 mmHg at 77.9 °F (NTP, 1992)
Descriptions:
pubchem: Cyclohexane is an alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. It has a role as a non-polar solvent. It is a volatile organic compound and a cycloalkane.
chebi: An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.
chembl: CYCLOHEXANE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 1.0.
wikipedia: Cyclohexane is a cycloalkane with the molecular formula C6H12. Cyclohexane is non-polar. Cyclohexane is a colourless, flammable liquid with a distinctive detergent-like odor, reminiscent of cleaning products (in which it is sometimes used). Cyclohexane is mainly used for the industrial production of adipic acid and caprolactam, which are precursors to nylon.
Cyclohexyl (C6H11) is the alkyl substituent of cyclohexane and is abbreviated Cy.