1.0 2010-04-08 22:07:58 UTC 2019-11-26 03:02:17 UTC FDB008208 6-Methyl-3,5-heptadien-2-one Flavouring ingredient. Isolated from lavender oil (Lavendula officinalis hybrid). (3E)-6-Methyl-3,5-heptadien-2-one 2-methyl-2,4-heptadien-6-one 2-Methylhepta-2,4-dien-6-one 3,5-Heptadien-2-one, 6-methyl- 3,5-Heptadien-2-one, 6-methyl-, (E)- 6-Methyl-(e)-3,5-heptadien-2-one 6-Methyl-3,5-heptadiene-2-one 6-Methyl-3,5-heptadienone-2 6-Methyl-hepta-3,5-diene-2-one 6-Methylhepta-3,5-dien-2-one FEMA 3363 Methylheptadienone C8H12O 124.1803 124.088815006 (3Z)-6-methylhepta-3,5-dien-2-one (3Z)-6-methylhepta-3,5-dien-2-one 1604-28-0 CC(C)=C\C=C/C(C)=O InChI=1S/C8H12O/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4- KSKXSFZGARKWOW-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 2.01 ALOGPS logs -1.62 ALOGPS solubility 3.00e+00 g/l ALOGPS logp 2.02 ChemAxon pka_strongest_acidic 19.73 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac (3Z)-6-methylhepta-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/c1-7(2)5-4-6-8(3)9/h4-6H,1-3H3/b6-4- ChemAxon inchikey KSKXSFZGARKWOW-XQRVVYSFSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 41.12 ChemAxon polarizability 14.82 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18578 Specdb::CMs 137116 Specdb::CMs 144850 Specdb::MsIr 4677 Specdb::MsIr 4678 Specdb::MsMs 307219 Specdb::MsMs 307220 Specdb::MsMs 307221 Specdb::MsMs 351103 Specdb::MsMs 351104 Specdb::MsMs 351105 Specdb::MsMs 2348489 Specdb::MsMs 2348490 Specdb::MsMs 2348491 Specdb::MsMs 2586361 Specdb::MsMs 2586362 Specdb::MsMs 2586363 Specdb::NmrOneD 164749 Specdb::NmrOneD 164750 Specdb::NmrOneD 164751 Specdb::NmrOneD 164752 Specdb::NmrOneD 164753 Specdb::NmrOneD 164754 Specdb::NmrOneD 164755 Specdb::NmrOneD 164756 Specdb::NmrOneD 164757 Specdb::NmrOneD 164758 Specdb::NmrOneD 164759 Specdb::NmrOneD 164760 Specdb::NmrOneD 164761 Specdb::NmrOneD 164762 Specdb::NmrOneD 164763 Specdb::NmrOneD 164764 Specdb::NmrOneD 164765 Specdb::NmrOneD 164766 Specdb::NmrOneD 164767 Specdb::NmrOneD 164768 HMDB31582 #<Reference:0x000055ce32772cd8> Cherry tomato Type 1 specific Solanum lycopersicum var. cerasiforme 195583 Garden tomato Type 1 specific Solanum lycopersicum 4081 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 cinnamon coconut spice sweet weedy woody