1.0 2010-04-08 22:05:37 UTC 2025-11-18 22:46:40 UTC FDB003024 5-Hydroxy-2-dodecenoic acid lactone It is used as a food additive . 2-Dodecen-5-olide 5-Hydroxy-2-dodecenoic acid lactone 6-Heptyl-5,6-dihydro-2H-pyran-2-one FEMA 3802 C12H20O2 196.286 196.146329884 6-heptyl-5,6-dihydro-2H-pyran-2-one 6-heptyl-5,6-dihydropyran-2-one 16400-72-9 CCCCCCCC1CC=CC(=O)O1 InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3 XPTXKXKPWKNYKB-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydropyranones. Dihydropyranones are compounds containing a hydrogenated pyran ring which bears a ketone, and contains one double bond. Dihydropyranones Organic compounds Organoheterocyclic compounds Pyrans Pyranones and derivatives Aliphatic heteromonocyclic compounds Carbonyl compounds Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydropyranone Enoate ester Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 4.36 ALOGPS logs -4.32 ALOGPS solubility 9.30e-03 g/l ALOGPS logp 3.99 ChemAxon pka_strongest_acidic 17.28 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 6-heptyl-5,6-dihydro-2H-pyran-2-one ChemAxon average_mass 196.286 ChemAxon mono_mass 196.146329884 ChemAxon smiles CCCCCCCC1CC=CC(=O)O1 ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-2-3-4-5-6-8-11-9-7-10-12(13)14-11/h7,10-11H,2-6,8-9H2,1H3 ChemAxon inchikey XPTXKXKPWKNYKB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 57.95 ChemAxon polarizability 23.81 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12977 Specdb::MsMs 12978 Specdb::MsMs 12979 Specdb::MsMs 19649 Specdb::MsMs 19650 Specdb::MsMs 19651 Specdb::MsMs 2345603 Specdb::MsMs 2345604 Specdb::MsMs 2345605 Specdb::MsMs 2590489 Specdb::MsMs 2590490 Specdb::MsMs 2590491 Specdb::MsIr 4072 Specdb::MsIr 4073 Specdb::CMs 24956 Specdb::CMs 151728 HMDB0031030 coconut creamy fatty lactonic