1.0 2010-04-08 22:05:34 UTC 2020-09-17 15:30:14 UTC FDB002897 Tridecanal Tridecanal belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain length of at least 12 carbon atoms. Thus, tridecanal is a fatty aldehyde lipid molecule. Tridecanal is a very hydrophobic molecule, practically insoluble in water, soluble in alcohol and relatively neutral. Tridecanal is a colorless clear liquid with a sweet, aldehydic, and citrus taste with a fresh clean aldehydic soapy odor (http://www.thegoodscentscompany.com/data/rw1005541.html). Tridecanal is found in highest concentrations in corianders (PMID: 25776008) and was detected in citrus, corns, evergreen blackberries, cucumbers, and herbs and spices making tridecanal a potential biomarker for the consumption of these foods. 1-Tridecanal N-Tridecanal N-Tridecylaldehyde Tridecanaldehyde Tridecane aldehyde Tridecyl aldehyde C13H26O 198.3449 198.198365454 tridecanal tridecanal 10486-19-8 CCCCCCCCCCCCC=O InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3 BGEHHAVMRVXCGR-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms. Fatty aldehydes Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Aliphatic acyclic compounds Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic acyclic compound Alpha-hydrogen aldehyde Carbonyl group Fatty aldehyde Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Fatty aldehydes Liquid logp 5.88 ALOGPS logs -5.71 ALOGPS solubility 3.84e-04 g/l ALOGPS melting_point Mp 14° logp 4.76 ChemAxon pka_strongest_acidic 17.79 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac tridecanal ChemAxon average_mass 198.3449 ChemAxon mono_mass 198.198365454 ChemAxon smiles CCCCCCCCCCCCC=O ChemAxon formula C13H26O ChemAxon inchi InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3 ChemAxon inchikey BGEHHAVMRVXCGR-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 62.36 ChemAxon polarizability 27.02 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4020 Specdb::MsIr 4021 Specdb::EiMs 1969 Specdb::MsMs 10973 Specdb::MsMs 10974 Specdb::MsMs 10975 Specdb::MsMs 17645 Specdb::MsMs 17646 Specdb::MsMs 17647 Specdb::MsMs 2751115 Specdb::MsMs 2751116 Specdb::MsMs 2751117 Specdb::MsMs 2928181 Specdb::MsMs 2928182 Specdb::MsMs 2928183 Specdb::CMs 12113 Specdb::CMs 29035 Specdb::CMs 29230 Specdb::CMs 29286 Specdb::CMs 100570 Specdb::CMs 100571 Specdb::CMs 100572 Specdb::CMs 156090 HMDB30928 #<Reference:0x000055ce32264110> Blackberry Type 1 specific Rubus Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Citrus Unknown generic Coriander Type 1 specific Coriandrum sativum 4047 16.8 16.8 16.8 mg/100 g Corn Type 1 specific Zea mays 4577 Cucumber Type 1 specific Cucumis sativus 3659 Evergreen blackberry Type 1 specific Rubus laciniatus Fats and oils Unknown generic Herbs and Spices Unknown generic Lemon Type 1 specific Citrus limon 2708 aldehydic citrus clean flower fresh grapefruit peel must petal soapy sweet waxy