1.0 2010-04-08 22:05:41 UTC 2025-11-18 22:48:32 UTC FDB003197 Dihydro-2-methyl-3(2H)-furanone It is used as a food additive . FEMA 3373 Tetrahydro-2-methyl-3-furanone C5H8O2 100.1158 100.0524295 2-methyloxolan-3-one coffee furanone 3188-00-9 CC1OCCC1=O InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3 FCWYQRVIQDNGBI-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 Dialkyl ethers Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans 3-furanone Aliphatic heteromonocyclic compound Carbonyl group Cyclic ketone Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran logp -0.23 ALOGPS logs 0.45 ALOGPS solubility 2.85e+02 g/l ALOGPS logp 0.44 ChemAxon pka_strongest_acidic 17.14 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 2-methyloxolan-3-one ChemAxon average_mass 100.1158 ChemAxon mono_mass 100.0524295 ChemAxon smiles CC1OCCC1=O ChemAxon formula C5H8O2 ChemAxon inchi InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3 ChemAxon inchikey FCWYQRVIQDNGBI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 25.28 ChemAxon polarizability 10.22 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11605 Specdb::CMs 169091 Specdb::MsIr 4138 Specdb::MsIr 4139 Specdb::MsMs 93201 Specdb::MsMs 93202 Specdb::MsMs 93203 Specdb::MsMs 156930 Specdb::MsMs 156931 Specdb::MsMs 156932 Specdb::MsMs 2730769 Specdb::MsMs 2730770 Specdb::MsMs 2730771 Specdb::MsMs 2974874 Specdb::MsMs 2974875 Specdb::MsMs 2974876 HMDB0031178 bread buttery nutty solvent sweet