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Hexane

Names Preferred IUPAC nameHexaneOther names SextaneHexacarbaneHexyl hydrideIdentifiers CAS Number110-54-33D model (JSmol)Interactive imageBeilstein Reference1730733 ChEBICHEBI:29021ChEMBLChEMBL15939ChemSpider7767DrugBankDB02764ECHA InfoCard100.003.435EC Number203-777-6Gmelin Reference1985 KEGGC11271MeSHn-hexanePubChemCID8058RTECS numberMN9275000UNII2DDG612ED8UN number1208 CompTox Dashboard(EPA)DTXSID0021917InChIInChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3Key: VLKZOEOYAKHREP-UHFFFAOYSA-NSMILESCCCCCCProperties Chemical formulaC6H14Molar mass86.178 g·mol Appearance Colorless liquid OdorPetrolic Density0.6606 g/mL Melting point−96 to −94 °C; −141 to −137 °F; 177 to 179 K Boiling point68.5 to 69.1 °C; 155.2 to 156.3 °F; 341.6 to 342.2 K Solubility in water9.5 mg L log P3.764 Vapor pressure17.60 kPa (at 20.0 °C) Henry's lawconstant (kH)7.6 nmol Pa kg UV-vis (λmax) 200 nm Magnetic susceptibility (χ)−74.6·10 cm/mol Refractive index (nD)1.375 Viscosity0.3 mPa·s Dipole moment0.08 D Thermochemistry Heat capacity(C)265.2 J K mol Std molarentropy(S298)296.06 J K mol Std enthalpy offormation(ΔfH298)−199.4–−198.0 kJ mol Std enthalpy ofcombustion(ΔcH298)−4180–−4140 kJ mol Hazards Occupational safety and health (OHS/OSH): Main hazardsReproductive toxicity – After aspiration, pulmonary oedema, pneumonitisGHS labelling: PictogramsSignal wordDangerHazard statementsH225, H302, H305, H315, H336, H361fd, H373, H411Precautionary statementsP201, P202, P210, P233, P235, P240, P241, P242, P243, P260, P264, P271, P273, P280, P281, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P308+P313, P310, P312, P314, P332+P313, P363, P370+P378, P391, P403+P233, P405, P501NFPA 704 (fire diamond) 130Flash point−26.0 °C (−14.8 °F; 247.2 K) Autoignitiontemperature234.0 °C (453.2 °F; 507.1 K) Explosive limits1.2–7.7% Lethal dose or concentration (LD, LC): LD50 (median dose)25 g kg (oral, rat)28710 mg/kg (rat, oral) LDLo (lowest published)56137 mg/kg (rat, oral) NIOSH (US health exposure limits): PEL (Permissible)TWA 500 ppm (1800 mg/m) REL (Recommended)TWA 50 ppm (180 mg/m) IDLH (Immediate danger)1100 ppm Related compounds Related alkanesPentaneHeptaneSupplementary data page Hexane (data page)Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).Yverify ( ?)

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