1.0 2010-04-08 22:06:22 UTC 2020-09-17 15:31:01 UTC FDB004726 N-Dodecane N-dodecane, also known as bihexyl or CH3-[CH2]10-CH3, belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2, and consist entirely of hydrogen atoms and saturated carbon atoms. N-dodecane is a hydrocarbon lipid molecule that is very hydrophobic molecule, practically insoluble in water, and relatively neutral. N-dodecane is found in higher concentrations in black walnuts and butter and lower amounts in lamb, cocoa, dill, wild strawberry, peas, tea and papaya ( http://www.thegoodscentscompany.com/data/rw1242151.html#tooccur). It was detected in garden tomatoes. Adakane 12 Bihexyl CH3-[CH2]10-CH3 Dihexyl Dodecane Dodekan Duodecane C12H26 170.3348 170.203450832 dodecane dodecane 112-40-3 CCCCCCCCCCCC InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 SNRUBQQJIBEYMU-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 alkane an alkane Liquid logp 6.42 ALOGPS logs -5.99 ALOGPS solubility 1.76e-04 g/l ALOGPS melting_point -9.6 oC logp 5.8 ChemAxon iupac dodecane ChemAxon average_mass 170.3348 ChemAxon mono_mass 170.203450832 ChemAxon smiles CCCCCCCCCCCC ChemAxon formula C12H26 ChemAxon inchi InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3 ChemAxon inchikey SNRUBQQJIBEYMU-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 57.01 ChemAxon polarizability 24.83 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 961 Specdb::CMs 10913 Specdb::CMs 28007 Specdb::CMs 28490 Specdb::CMs 28855 Specdb::CMs 29959 Specdb::CMs 31616 Specdb::CMs 158392 Specdb::MsMs 78645 Specdb::MsMs 78646 Specdb::MsMs 78647 Specdb::MsMs 139044 Specdb::MsMs 139045 Specdb::MsMs 139046 Specdb::MsMs 2818800 Specdb::MsMs 2818801 Specdb::MsMs 2818802 Specdb::MsMs 2890084 Specdb::MsMs 2890085 Specdb::MsMs 2890086 HMDB31444 28817 D12 #<Reference:0x000055ce30774e68> Black walnut Type 1 specific Juglans nigra 16719 500.0 500.0 500.0 mg/100 g Carrot Type 1 specific Daucus carota ssp. sativus 79200 0.0 0.0 0.0 mg/100 g Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Mung bean Type 1 specific Vigna radiata 157791 Papaya Type 1 specific Carica papaya 3649 Soy bean Type 1 specific Glycine max 3847 Sweet cherry Type 1 specific Prunus avium 42229 alkane