1.0 2010-04-08 22:04:41 UTC 2015-07-20 21:33:32 UTC FDB000718 3-Acetyl-2,5-dimethylfuran Flavouring ingredient 1-(2,5-Dimethyl-3-furanyl)-ethanone 1-(2,5-Dimethyl-3-furanyl)ethanone 1-(2,5-Dimethyl-3-furanyl)ethanone, 9CI 1-(2,5-Dimethyl-3-furyl)ethan-1-one 1-(2,5-Dimethyl-3-furyl)ethanone 2,5-Dimethyl-3-acetylfuran 2,5-Dimethyl-3-furyl methyl ketone 2,5-Dimethyl-3-furyl methyl ketone, 8CI 3-Acetyl-2-5-dimethylfuran 3-Acetyl-2,5-dimethyl furan Ethanone, 1-(2,5-dimethyl-3-furanyl)- FEMA 3391 Furan, 3-acetyl-2,5-dimethyl Ketone, 2,5-dimethyl-3-furyl methyl C8H10O2 138.1638 138.068079564 1-(2,5-dimethylfuran-3-yl)ethan-1-one 1-(2,5-dimethylfuran-3-yl)ethanone 10599-70-9 CC(=O)C1=C(C)OC(C)=C1 InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3 KBSVBCHYXYXDAG-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Aromatic heteromonocyclic compound Aryl alkyl ketone Furan Heteroaromatic compound Hydrocarbon derivative Organic oxide Organoheterocyclic compound Oxacycle Liquid logp 1.26 ALOGPS logs -1.61 ALOGPS solubility 3.41e+00 g/l ALOGPS logp 1.07 ChemAxon pka_strongest_acidic 15.43 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 1-(2,5-dimethylfuran-3-yl)ethan-1-one ChemAxon average_mass 138.1638 ChemAxon mono_mass 138.068079564 ChemAxon smiles CC(=O)C1=C(C)OC(C)=C1 ChemAxon formula C8H10O2 ChemAxon inchi InChI=1S/C8H10O2/c1-5-4-8(6(2)9)7(3)10-5/h4H,1-3H3 ChemAxon inchikey KBSVBCHYXYXDAG-UHFFFAOYSA-N ChemAxon polar_surface_area 30.21 ChemAxon refractivity 39.27 ChemAxon polarizability 15.17 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3465 Specdb::MsIr 3466 Specdb::CMs 12483 Specdb::CMs 166125 Specdb::NmrOneD 15682 Specdb::NmrOneD 15683 Specdb::NmrOneD 15684 Specdb::NmrOneD 15685 Specdb::NmrOneD 15686 Specdb::NmrOneD 15687 Specdb::NmrOneD 15688 Specdb::NmrOneD 15689 Specdb::NmrOneD 15690 Specdb::NmrOneD 15691 Specdb::NmrOneD 15692 Specdb::NmrOneD 15693 Specdb::NmrOneD 15694 Specdb::NmrOneD 15695 Specdb::NmrOneD 15696 Specdb::NmrOneD 15697 Specdb::NmrOneD 15698 Specdb::NmrOneD 15699 Specdb::NmrOneD 15700 Specdb::NmrOneD 15701 Specdb::MsMs 74481 Specdb::MsMs 74482 Specdb::MsMs 74483 Specdb::MsMs 133869 Specdb::MsMs 133870 Specdb::MsMs 133871 Specdb::MsMs 2828621 Specdb::MsMs 2828622 Specdb::MsMs 2828623 Specdb::MsMs 2853091 Specdb::MsMs 2853092 Specdb::MsMs 2853093 HMDB29563 #<Reference:0x00005612728b6278> cocoa corn earthy leather musty nutty sweet