1.0 2010-04-08 22:06:22 UTC 2025-11-18 22:57:15 UTC FDB004725 N-Docosane Docosane, also called n-docosane, is a straight-chain alkane with 22 carbon atoms. It belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons, they have the general formula CH3-[CH2]20-CH3, and consist entirely of hydrogen atoms and saturated carbon atoms. Docosane is a hydrocarbon lipid molecule that is a hydrophobic, practically insoluble in water, and relatively neutral. Docosane is waxy taste. It is found in highest concentrations in lemon balms detected in allspices, lindens, papaya, and sunflowers. This could make docosane a potential biomarker for the consumption of these foods. Docosane has been found in the essential oils from plants, such as dill (PMID: 25154406) and Periploca laevigata Aiton subsp. angustifolia (Apocynaceae) (PMID: 22439883). Docosane Normal-docosane C22H46 310.6006 310.359951472 docosane docosane 629-97-0 CCCCCCCCCCCCCCCCCCCCCC InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3 HOWGUJZVBDQJKV-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 10.16 ALOGPS logs -7.76 ALOGPS solubility 5.36e-06 g/l ALOGPS melting_point 44.4 oC logp 10.24 ChemAxon iupac docosane ChemAxon average_mass 310.6006 ChemAxon mono_mass 310.359951472 ChemAxon smiles CCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C22H46 ChemAxon inchi InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3 ChemAxon inchikey HOWGUJZVBDQJKV-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 103.02 ChemAxon polarizability 46.26 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1925 Specdb::NmrOneD 3945 Specdb::NmrOneD 4226 Specdb::CMs 1865 Specdb::CMs 28998 Specdb::CMs 29414 Specdb::CMs 29969 Specdb::CMs 36764 Specdb::CMs 132414 Specdb::CMs 140148 Specdb::MsMs 68793 Specdb::MsMs 68794 Specdb::MsMs 68795 Specdb::MsMs 126906 Specdb::MsMs 126907 Specdb::MsMs 126908 Specdb::MsMs 2715790 Specdb::MsMs 2715791 Specdb::MsMs 2715792 Specdb::MsMs 2966952 Specdb::MsMs 2966953 Specdb::MsMs 2966954 HMDB0061865 Allspice Type 1 specific Pimenta dioica 375272 Lemon balm Type 1 specific Melissa officinalis 39338 0.01 0.01 0.01 mg/100 g Linden Type 1 specific Tilia 64580 Papaya Type 1 specific Carica papaya 3649 Sunflower Type 1 specific Helianthus annuus 4232 alkane waxy