1.0 2010-04-08 22:05:46 UTC 2019-11-26 02:59:01 UTC FDB003353 2-Octen-4-one 2-Octen-4-one is a flavouring ingredient. It is found in roasted hazelnut, white bread, and cereal products. (2E)-2-Octen-4-one Butyl propenyl ketone FEMA 3603 Propenyl butyl ketone C8H14O 126.1962 126.10446507 (2Z)-oct-2-en-4-one (2Z)-oct-2-en-4-one 4643-27-0 CCCCC(=O)\C=C/C InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4- FMDLEUPBHMCPQV-XQRVVYSFSA-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 2.57 ALOGPS logs -1.91 ALOGPS solubility 1.56e+00 g/l ALOGPS logp 2.84 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac (2Z)-oct-2-en-4-one ChemAxon average_mass 126.1962 ChemAxon mono_mass 126.10446507 ChemAxon smiles CCCCC(=O)\C=C/C ChemAxon formula C8H14O ChemAxon inchi InChI=1S/C8H14O/c1-3-5-7-8(9)6-4-2/h4,6H,3,5,7H2,1-2H3/b6-4- ChemAxon inchikey FMDLEUPBHMCPQV-XQRVVYSFSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 40.34 ChemAxon polarizability 15.19 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13442 Specdb::CMs 132148 Specdb::CMs 139882 Specdb::MsIr 4323 Specdb::MsIr 4324 Specdb::MsMs 295612 Specdb::MsMs 295613 Specdb::MsMs 295614 Specdb::MsMs 336658 Specdb::MsMs 336659 Specdb::MsMs 336660 Specdb::MsMs 2303466 Specdb::MsMs 2303467 Specdb::MsMs 2303468 Specdb::MsMs 3065726 Specdb::MsMs 3065727 Specdb::MsMs 3065728 Specdb::NmrOneD 163329 Specdb::NmrOneD 163330 Specdb::NmrOneD 163331 Specdb::NmrOneD 163332 Specdb::NmrOneD 163333 Specdb::NmrOneD 163334 Specdb::NmrOneD 163335 Specdb::NmrOneD 163336 Specdb::NmrOneD 163337 Specdb::NmrOneD 163338 Specdb::NmrOneD 163339 Specdb::NmrOneD 163340 Specdb::NmrOneD 163341 Specdb::NmrOneD 163342 Specdb::NmrOneD 163343 Specdb::NmrOneD 163344 Specdb::NmrOneD 163345 Specdb::NmrOneD 163346 Specdb::NmrOneD 163347 Specdb::NmrOneD 163348 HMDB31301 #<Reference:0x000055ce317ebb48> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Nuts Unknown generic fruit jam preserves metallic mushroom tropical yeast