1.0 2010-04-08 22:11:47 UTC 2019-11-26 03:11:30 UTC FDB015353 Filbertone Filbertone, also known as 5-methylhept-2-en-4-one, is a member of the class of compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Filbertone is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Filbertone is a sweet, filbert, and hazelnut tasting compound found in common hazelnut, which makes filbertone a potential biomarker for the consumption of this food product. Filbertone is the principal flavor compound of hazelnuts. It is used in perfumery and is designated as generally recognized as safe (GRAS) for use in foods . FEMA 3761 Filbertone C8H14O 126.1962 126.10446507 (2E)-5-methylhept-2-en-4-one (2E)-5-methylhept-2-en-4-one 81925-81-7 CCC(C)C(=O)\C=C\C InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ ARJWAURHQDJJAC-GQCTYLIASA-N belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Enones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Enone Hydrocarbon derivative Ketone Organic oxide logp 2.56 ALOGPS logs -1.87 ALOGPS solubility 1.72e+00 g/l ALOGPS logp 2.94 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2E)-5-methylhept-2-en-4-one ChemAxon average_mass 126.1962 ChemAxon mono_mass 126.10446507 ChemAxon smiles CCC(C)C(=O)\C=C\C ChemAxon formula C8H14O ChemAxon inchi InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ ChemAxon inchikey ARJWAURHQDJJAC-GQCTYLIASA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 40.32 ChemAxon polarizability 15.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1302481 Specdb::MsMs 1302482 Specdb::MsMs 1302483 Specdb::MsMs 1417060 Specdb::MsMs 1417061 Specdb::MsMs 1417062 Specdb::MsMs 3605776 Specdb::MsMs 3605777 Specdb::MsMs 3605778 Specdb::MsMs 3605779 Specdb::MsMs 3605780 Specdb::MsMs 3605781 Common hazelnut Type 1 specific Corylus avellana 13451 filbert hazelnut ketonic myrcene nut skin raw sweet