1.0 2010-04-08 22:08:53 UTC 2019-11-26 03:03:33 UTC FDB009955 trans, trans-3,5-Octadien-2-one It is used as a food additive . (E,E)-3,5-octadien-2-one (E,E)-octa-3,5-dien-2-one (E)-3,(E)-5-octadien-2-one 3,5-(E,E)-Octadien-2-one 3,5-octadien-2-one (e,e) Octa-3(E),5(E)-dien-2-one trans-3,trans-5-octadien-2-one trans,trans-3,5-octadien-2-one C8H12O 124.1803 124.088815006 (3E,5E)-octa-3,5-dien-2-one (3E,5E)-octa-3,5-dien-2-one 30086-02-3 CC\C=C\C=C\C(C)=O InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+ LWRKMRFJEUFXIB-YTXTXJHMSA-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 Oxygenated hydrocarbons logp 1.90 ALOGPS logs -2.21 ALOGPS solubility 7.69e-01 g/l ALOGPS logp 2.22 ChemAxon pka_strongest_acidic 19.73 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac (3E,5E)-octa-3,5-dien-2-one ChemAxon average_mass 124.1803 ChemAxon mono_mass 124.088815006 ChemAxon smiles CC\C=C\C=C\C(C)=O ChemAxon formula C8H12O ChemAxon inchi InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+ ChemAxon inchikey LWRKMRFJEUFXIB-YTXTXJHMSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 41.44 ChemAxon polarizability 15.23 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14920 Specdb::CMs 168169 Specdb::MsIr 5434 Specdb::MsIr 5435 Specdb::MsMs 44985 Specdb::MsMs 44986 Specdb::MsMs 44987 Specdb::MsMs 141531 Specdb::MsMs 141532 Specdb::MsMs 141533 Specdb::MsMs 2818608 Specdb::MsMs 2818609 Specdb::MsMs 2818610 Specdb::MsMs 2889829 Specdb::MsMs 2889830 Specdb::MsMs 2889831 HMDB32446 #<Reference:0x000055ce326f6f98> Blackberry Type 1 specific Rubus Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/100 g Evergreen blackberry Type 1 specific Rubus laciniatus Taco Type 2 specific 0.0 0.0 0.0 mg/100 g Tortilla Type 2 specific 0.0 0.0 0.0 mg/100 g Tortilla chip Type 2 specific fruity grassy green