1.0 2010-04-08 22:06:22 UTC 2025-11-18 22:57:14 UTC FDB004722 Methylcyclohexane Methylcyclohexane is a member of the class of compounds known as cycloalkanes. Cycloalkanes are saturated monocyclic hydrocarbons (with or without side chains). Thus, methylcyclohexane is considered to be a hydrocarbon lipid molecule. Methylcyclohexane can be found in garden tomato (variety) and papaya, which makes methylcyclohexane a potential biomarker for the consumption of these food products. Methylcyclohexane is an organic compound with the molecular formula is CH3C6H11. Classified as saturated hydrocarbon, it is a colourless liquid with a faint odor. Methylcyclohexane is used as a solvent. It is mainly converted in naphtha reformers to toluene . Cyclohexane, methyl- Cyclohexylmethane Hexahydrotoluene Hexahydroxytoluene Methylcyclohexane Metylocykloheksan Sextone b Toluene hexahydride Toluene, hexahydro- C7H14 98.1861 98.109550448 methylcyclohexane methylcyclohexane CC1CCCCC1 InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 UAEPNZWRGJTJPN-UHFFFAOYSA-N belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains). Cycloalkanes Organic compounds Hydrocarbons Saturated hydrocarbons Cycloalkanes Aliphatic homomonocyclic compounds Aliphatic homomonocyclic compound Cycloalkane Hydrocarbons liquid logp 3.90 ALOGPS logs -3.88 ALOGPS solubility 1.30e-02 g/l ALOGPS melting_point -126.6 oC logp 2.95 ChemAxon iupac methylcyclohexane ChemAxon average_mass 98.1861 ChemAxon mono_mass 98.109550448 ChemAxon smiles CC1CCCCC1 ChemAxon formula C7H14 ChemAxon inchi InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3 ChemAxon inchikey UAEPNZWRGJTJPN-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 32.15 ChemAxon polarizability 13.03 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 27782 Specdb::CMs 27899 Specdb::CMs 29756 Specdb::CMs 29762 Specdb::CMs 29973 Specdb::CMs 35338 Specdb::MsMs 54489 Specdb::MsMs 54490 Specdb::MsMs 54491 Specdb::MsMs 132771 Specdb::MsMs 132772 Specdb::MsMs 132773 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Papaya Type 1 specific Carica papaya 3649 Prickly pear Type 1 specific Opuntia 106975