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Cyclohexanone

Names Preferred IUPAC nameCyclohexanoneOther names oxocyclohexane, pimelic ketone, ketohexamethylene, cyclohexyl ketone, ketocyclohexane, hexanon, Hydrol-O, Sextone, K, AnoneIdentifiers CAS Number108-94-13D model (JSmol)Interactive imageChEBICHEBI:17854ChEMBLChEMBL18850ChemSpider7679DrugBankDB02060ECHA InfoCard100.003.302EC Number203-631-1KEGGC00414PubChemCID7967UNII5QOR3YM052CompTox Dashboard(EPA)DTXSID6020359InChIInChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2Key: JHIVVAPYMSGYDF-UHFFFAOYSA-NInChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2Key: JHIVVAPYMSGYDF-UHFFFAOYAYSMILESC1CCC(=O)CC1Properties Chemical formulaC6H10OMolar mass98.145 g·mol Appearance Colorless liquid OdorPeppermint or acetone-like Density0.9478 g/mL, liquid Melting point−47 °C (−53 °F; 226 K) Boiling point155.65 °C (312.17 °F; 428.80 K) Solubility in water8.6 g/100 mL (20 °C) Solubility in all organic solvents Miscible log P0.81 Vapor pressure5 mmHg (20 °C) Magnetic susceptibility (χ)−62.04·10 cm/mol Refractive index (nD)1.447 Viscosity2.02 cP at 25 °C Thermochemistry Std molarentropy(S298)+229.03 J·K·mol Std enthalpy offormation(ΔfH298)−270.7 kJ·mol Std enthalpy ofcombustion(ΔcH298)−3519.3 kJ·mol Hazards GHS labelling: PictogramsSignal wordDangerHazard statementsH226, H302, H305, H312, H315, H318, H332Precautionary statementsP280, P305+P351+P338NFPA 704 (fire diamond) 120Flash point44 °C (111 °F; 317 K) Autoignitiontemperature420 °C (788 °F; 693 K) Explosive limits1.1–9.4% Lethal dose or concentration (LD, LC): LD50 (median dose)1200 mg/kg (cat, orally); 2362 mg/kg (rat, orally) LC50 (median concentration)8000 ppm (rat, 4 hr) LCLo (lowest published)4706 ppm (mouse, 1.5 hr) NIOSH (US health exposure limits): PEL (Permissible)TWA 50 ppm (200 mg/m) REL (Recommended)TWA 25 ppm (100 mg/m) [skin] IDLH (Immediate danger)700 ppm Related compounds Related ketonesCyclopentanone, cycloheptanoneRelated compoundsCyclohexanolExcept where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).Yverify ( ?)

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