1.0 2010-04-08 22:04:42 UTC 2025-11-18 22:22:38 UTC FDB000765 Hexane Hexane, also known as sextane, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Hexane exists as a clear, colorless liquid. It is a very hydrophobic molecule, practically insoluble in water. Industrially hexane is a significant constituent of gasoline. It is widely used as a cheap, relatively safe, largely unreactive, and easily evaporated non-polar solvent. Hexane (and its isomers) are used in the formulation of glues for shoes, leather products, and roofing. They are also used to extract cooking oils (such as canola oil or soy oil) from seeds, for cleansing and degreasing a variety of items, and in textile manufacturing. As a result, small amounts of hexane are present in a number of foods and cooking oils. Hexane also occurs naturally in certain plants. It is found, on average, in the highest concentration within kohlrabis stems, but it has also been detected in kiwi fruit, apricots, pomes, nuts, mushrooms, and corn. Hexane is not completely harmless. Exposure to high levels of hexane may damage the lungs and reproductive system. Inhalation of high concentrations of hexane produces first a state of mild euphoria, followed by somnolence with headaches and nausea. Hexane can cause degeneration of the peripheral nervous system (and eventually the central nervous system), starting with damage to the nerve axons. The initial reaction is oxidation of hexane by cytochrome P-450 isozymes to hexanols, predominantly 2-hexanol. 2,5-Hexanedione also reacts with lysine side-chain amino groups in axonal cytoskeletal proteins to form pyrroles. Continued exposure may lead to paralysis of the arms and legs. CH3-[CH2]4-CH3 Hexan N-hexane C6H14 86.1754 86.109550448 hexane hexane 110-54-3 CCCCCC InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 VLKZOEOYAKHREP-UHFFFAOYSA-N belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. Alkanes Organic compounds Hydrocarbons Saturated hydrocarbons Alkanes Aliphatic acyclic compounds Acyclic alkane Aliphatic acyclic compound Alkane Hydrocarbons Hydrocarbons a small molecule alkane logp 4.02 ALOGPS logs -3.41 ALOGPS solubility 3.33e-02 g/l ALOGPS melting_point Fp -93.5° logp 3.13 ChemAxon iupac hexane ChemAxon average_mass 86.1754 ChemAxon mono_mass 86.109550448 ChemAxon smiles CCCCCC ChemAxon formula C6H14 ChemAxon inchi InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 ChemAxon inchikey VLKZOEOYAKHREP-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 29.41 ChemAxon polarizability 12.3 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1223 Specdb::NmrOneD 2143 Specdb::NmrOneD 3450 Specdb::CMs 14576 Specdb::CMs 27238 Specdb::CMs 29525 Specdb::CMs 29539 Specdb::CMs 29948 Specdb::CMs 100356 Specdb::CMs 100357 Specdb::CMs 100358 Specdb::CMs 100359 Specdb::CMs 160660 Specdb::MsMs 81627 Specdb::MsMs 81628 Specdb::MsMs 81629 Specdb::MsMs 142764 Specdb::MsMs 142765 Specdb::MsMs 142766 Specdb::MsMs 2778416 Specdb::MsMs 2778417 Specdb::MsMs 2778418 Specdb::MsMs 2903649 Specdb::MsMs 2903650 Specdb::MsMs 2903651 HMDB29600 29021 HEX #<Reference:0x000055ce32c57c58> #<Reference:0x000055ce32c57870> #<Reference:0x000055ce32c57668> #<Reference:0x000055ce32c574b0> #<Reference:0x000055ce32c572f8> #<Reference:0x000055ce32c57140> Apple Type 1 specific Malus pumila 283210 Celeriac Type 1 specific Apium graveolens var. rapaceum 278110 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Citrus Unknown generic Common mushroom Type 1 specific Agaricus bisporus 5341 Corn Type 1 specific Zea mays 4577 Fruits Unknown generic Herbs and Spices Unknown generic Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.004 0.004 0.004 mg/100 g Mollusks Unknown generic 6447 Mushrooms Unknown generic Nuts Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Pomes Unknown generic Potato Type 1 specific Solanum tuberosum 4113 alkane Neurotoxic 1160 A poison that interferes with the functions of the nervous system.