1.0 2010-04-08 22:14:59 UTC 2025-11-19 02:30:56 UTC FDB020380 Furaneol Flavouring agent. Furaneol is found in many foods, some of which are fruits, nuts, pulses, and cereals and cereal products. (±)-Furaneol Alletone COE 536 FEMA 3174 Furaneol Pineapple ketone C6H8O3 128.1259 128.047344122 4-hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one furaneol 3658-77-3 CC1OC(C)=C(O)C1=O InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3 INAXVXBDKKUCGI-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 Hydrocarbon derivatives Organic oxides Oxacyclic compounds Vinylogous esters 3-furanone Aliphatic heteromonocyclic compound Carbonyl group Cyclic ketone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Vinylogous ester cyclic ketone enol furans logp -0.33 ALOGPS logs 0.54 ALOGPS solubility 4.46e+02 g/l ALOGPS melting_point Mp 77-78° logp 0.21 ChemAxon pka_strongest_acidic 7.09 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 4-hydroxy-2,5-dimethyl-2,3-dihydrofuran-3-one ChemAxon average_mass 128.1259 ChemAxon mono_mass 128.047344122 ChemAxon smiles CC1OC(C)=C(O)C1=O ChemAxon formula C6H8O3 ChemAxon inchi InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3 ChemAxon inchikey INAXVXBDKKUCGI-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 33.29 ChemAxon polarizability 12.48 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2997 Specdb::CMs 46847 Specdb::CMs 146108 Specdb::MsIr 9042 Specdb::MsIr 9043 Specdb::MsIr 9044 Specdb::MsMs 109563 Specdb::MsMs 109564 Specdb::MsMs 109565 Specdb::MsMs 177021 Specdb::MsMs 177022 Specdb::MsMs 177023 Specdb::MsMs 3057167 Specdb::MsMs 3057168 Specdb::MsMs 3057169 Specdb::MsMs 3113234 Specdb::MsMs 3113235 Specdb::MsMs 3113236 Specdb::NmrOneD 42202 Specdb::NmrOneD 42203 Specdb::NmrOneD 42204 Specdb::NmrOneD 42205 Specdb::NmrOneD 42206 Specdb::NmrOneD 42207 Specdb::NmrOneD 42208 Specdb::NmrOneD 42209 Specdb::NmrOneD 42210 Specdb::NmrOneD 42211 Specdb::NmrOneD 42212 Specdb::NmrOneD 42213 Specdb::NmrOneD 42214 Specdb::NmrOneD 42215 Specdb::NmrOneD 42216 Specdb::NmrOneD 42217 Specdb::NmrOneD 42218 Specdb::NmrOneD 42219 Specdb::NmrOneD 42220 Specdb::NmrOneD 42221 HMDB40594 #<Reference:0x000055ce3191ea60> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Fruits Unknown generic Nuts Unknown generic Pineapple Type 1 specific Ananas comosus 4615 0.12 0.12 0.12 mg/100 g Pulses Unknown generic almond candy caramel cotton grape strawberry sugar sweet