1.0 2010-04-08 22:10:04 UTC 2020-09-17 15:31:09 UTC FDB012240 Dotriacontane Dotriacontane, also known as bicetyl or CH3-[CH2]30-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. Thus, dotriacontane is a hydrocarbon lipid molecule that is very hydrophobic, practically insoluble in water, and relatively neutral. Dotriacontane has been detected in coconuts, garden tomato (var.), papaya, and tea. This could make dotriacontane a potential biomarker for the consumption of these foods. Alkanes have two main commercial sources: petroleum (crude oil) and natural gas. Alkanes from nonane to hexadecane (an alkane with sixteen carbon atoms) are liquids of higher viscosity, which are less suitable for use in gasoline. From this group on, the n-alkanes are generally solid (waxws) at standard conditions. Alkanes from hexadecane upwards form the most important components of fuel oil and lubricating oil. Alkanes with a chain length of approximately 35 or more carbon atoms are found in bitumen (asphalt), and are used in road surfacing. Mixtures of the normal alkanes are used as boiling point standards for simulated distillation by gas chromatography, a separation process used to improve the economics of oil and gas production. Bicetyl CH3-[CH2]30-CH3 Dicetyl Lacceran N-dotriacontane C32H66 450.8664 450.516452112 dotriacontane dotriacontane 544-85-4 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 QHMGJGNTMQDRQA-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 long-chain alkane logp 11.07 ALOGPS logs -8.01 ALOGPS solubility 4.37e-06 g/l ALOGPS melting_point Mp 74-75° logp 14.69 ChemAxon iupac dotriacontane ChemAxon average_mass 450.8664 ChemAxon mono_mass 450.516452112 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C32H66 ChemAxon inchi InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3 ChemAxon inchikey QHMGJGNTMQDRQA-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 149.03 ChemAxon polarizability 67.71 ChemAxon rotatable_bond_count 29 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2264 Specdb::CMs 10070 Specdb::CMs 31636 Specdb::CMs 136823 Specdb::CMs 144557 Specdb::MsMs 52212 Specdb::MsMs 52213 Specdb::MsMs 52214 Specdb::MsMs 158034 Specdb::MsMs 158035 Specdb::MsMs 158036 Specdb::MsMs 2808257 Specdb::MsMs 2808258 Specdb::MsMs 2808259 Specdb::MsMs 2897955 Specdb::MsMs 2897956 Specdb::MsMs 2897957 HMDB34005 36020 #<Reference:0x00007f093c0384b8> Black tea Type 1 Coconut Type 1 specific Cocos nucifera 13894 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 Green tea Type 1 Herbal tea Type 1 Papaya Type 1 specific Carica papaya 3649 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442