1.0 2010-04-08 22:09:23 UTC 2018-05-28 23:29:17 UTC FDB010953 Furaneol acetate It is used in meaty and caramel-type flavours. 3(2H)-Furanone, 4-(acetyloxy)-2,5-dimethyl- 3(2H)-Furanone, 4-hydroxy-2,5-dimethyl-, acetate 4-(Acetyloxy)-2,5-dimethyl-3(2H)-furanone 4-Acetoxy-2,5-dimethyl-3(2H)-furanone 4-Acetoxy-2,5-dimethyl-3(2H)furanone 4-Hydroxy-2,5-dimethyl-3(2H)-furanone acetate FEMA 3797 Furaneol acetate C8H10O4 170.1626 170.057908808 2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate 2,5-dimethyl-4-oxo-5H-furan-3-yl acetate 4166-20-5 CC1OC(C)=C(OC(C)=O)C1=O InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3 VPKIUOQJQJVLRW-UHFFFAOYSA-N belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Furanones Organic compounds Organoheterocyclic compounds Dihydrofurans Furanones Aliphatic heteromonocyclic compounds Cyclic ketones Enol esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Vinylogous esters 3-furanone Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Enol ester Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Vinylogous ester logp 0.53 ALOGPS logs -0.74 ALOGPS solubility 3.08e+01 g/l ALOGPS logp 0.12 ChemAxon pka_strongest_acidic 7.18 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 2,5-dimethyl-4-oxo-4,5-dihydrofuran-3-yl acetate ChemAxon average_mass 170.1626 ChemAxon mono_mass 170.057908808 ChemAxon smiles CC1OC(C)=C(OC(C)=O)C1=O ChemAxon formula C8H10O4 ChemAxon inchi InChI=1S/C8H10O4/c1-4-7(10)8(5(2)11-4)12-6(3)9/h4H,1-3H3 ChemAxon inchikey VPKIUOQJQJVLRW-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 42.44 ChemAxon polarizability 16.71 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12040 Specdb::CMs 131714 Specdb::CMs 139448 Specdb::MsIr 5844 Specdb::MsIr 5845 Specdb::NmrOneD 117058 Specdb::NmrOneD 117059 Specdb::NmrOneD 117060 Specdb::NmrOneD 117061 Specdb::NmrOneD 117062 Specdb::NmrOneD 117063 Specdb::NmrOneD 117064 Specdb::NmrOneD 117065 Specdb::NmrOneD 117066 Specdb::NmrOneD 117067 Specdb::NmrOneD 117068 Specdb::NmrOneD 117069 Specdb::NmrOneD 117070 Specdb::NmrOneD 117071 Specdb::NmrOneD 117072 Specdb::NmrOneD 117073 Specdb::NmrOneD 117074 Specdb::NmrOneD 117075 Specdb::NmrOneD 117076 Specdb::NmrOneD 117077 Specdb::MsMs 54270 Specdb::MsMs 54271 Specdb::MsMs 54272 Specdb::MsMs 145545 Specdb::MsMs 145546 Specdb::MsMs 145547 Specdb::MsMs 2287917 Specdb::MsMs 2287918 Specdb::MsMs 2287919 Specdb::MsMs 2648391 Specdb::MsMs 2648392 Specdb::MsMs 2648393 HMDB32966 #<Reference:0x000055ce2d033030> baked bread brown caramel fruity molasses sugar sweet toffee tropical