1.0 2010-04-08 22:09:57 UTC 2025-11-18 23:33:04 UTC FDB012014 (±)-Dihydro-5-methyl-2(3H)-furanone Constituent of crude pyroligneous acid. It is used in smoke flavours. C5H8O2 100.1158 100.0524295 5-methyloxolan-2-one gamma-valerolactone 57129-69-8 CC1CCC(=O)O1 InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3 GAEKPEKOJKCEMS-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteromonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran Lactones butan-4-olide logp 0.36 ALOGPS logs -0.03 ALOGPS solubility 9.26e+01 g/l ALOGPS melting_point Fp -31° logp 0.57 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5-methyloxolan-2-one ChemAxon average_mass 100.1158 ChemAxon mono_mass 100.0524295 ChemAxon smiles CC1CCC(=O)O1 ChemAxon formula C5H8O2 ChemAxon inchi InChI=1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3 ChemAxon inchikey GAEKPEKOJKCEMS-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 24.73 ChemAxon polarizability 10.16 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1616 Specdb::CMs 26156 Specdb::CMs 29257 Specdb::CMs 101423 Specdb::CMs 174315 Specdb::MsIr 6298 Specdb::MsIr 6299 Specdb::MsMs 46254 Specdb::MsMs 46255 Specdb::MsMs 46256 Specdb::MsMs 137187 Specdb::MsMs 137188 Specdb::MsMs 137189 Specdb::MsMs 2772464 Specdb::MsMs 2772465 Specdb::MsMs 2772466 Specdb::MsMs 2909429 Specdb::MsMs 2909430 Specdb::MsMs 2909431 Specdb::NmrOneD 3784 Specdb::NmrOneD 4043 Specdb::NmrOneD 123218 Specdb::NmrOneD 123219 Specdb::NmrOneD 123220 Specdb::NmrOneD 123221 Specdb::NmrOneD 123222 Specdb::NmrOneD 123223 Specdb::NmrOneD 123224 Specdb::NmrOneD 123225 Specdb::NmrOneD 123226 Specdb::NmrOneD 123227 Specdb::NmrOneD 123228 Specdb::NmrOneD 123229 Specdb::NmrOneD 123230 Specdb::NmrOneD 123231 Specdb::NmrOneD 123232 Specdb::NmrOneD 123233 Specdb::NmrOneD 123234 Specdb::NmrOneD 123235 Specdb::NmrOneD 123236 Specdb::NmrOneD 123237 HMDB0033840