1.0 2010-04-08 22:11:26 UTC 2025-11-19 00:49:13 UTC FDB014730 3-Methyl-4-butyl-gamma-butyrolactone Stereoisomers are flavour components of whisky and other alcoholic beverages. It is used in flavouring candies and soft drinks. 3-Methyl-4-butyl-gamma-butyrolactone is found in alcoholic beverages. 2(3H)-Furanone, 5-butyldihydro-4-methyl- 2(3H)-Furanone, dihydro, 5-butyl-4-methyl 3-Methyl-4-butyl-gamma-butyrolactone 3-Methyl-4-octanolide 4-Hydroxy-3-methyloctanoic acid lactone 5-Butyl-4-methyl-dihydro-2(3H)-furanone 5-Butyl-4-methyldihydro-2(3H)-furanone 5-Butyldihydro-4-methylfuran-2(3H)-one beta-Methyl-gamma-octalactone cis-3-Methyl-4-octanolide FEMA 3803 Oaklactone Quercuslactone Whiskey lactone Whisky lactone C9H16O2 156.2221 156.115029756 5-butyl-4-methyloxolan-2-one cis-3-methyl-4-octanolide 39212-23-2 CCCCC1OC(=O)CC1C InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3 WNVCMFHPRIBNCW-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 logp 2.69 ALOGPS logs -2.26 ALOGPS solubility 8.52e-01 g/l ALOGPS logp 2.34 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5-butyl-4-methyloxolan-2-one ChemAxon average_mass 156.2221 ChemAxon mono_mass 156.115029756 ChemAxon smiles CCCCC1OC(=O)CC1C ChemAxon formula C9H16O2 ChemAxon inchi InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3 ChemAxon inchikey WNVCMFHPRIBNCW-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 42.92 ChemAxon polarizability 18.11 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2979 Specdb::CMs 27382 Specdb::CMs 101733 Specdb::CMs 136430 Specdb::CMs 144164 Specdb::NmrOneD 335638 Specdb::NmrOneD 335639 Specdb::NmrOneD 335640 Specdb::NmrOneD 335641 Specdb::NmrOneD 335642 Specdb::NmrOneD 335643 Specdb::NmrOneD 335644 Specdb::NmrOneD 335645 Specdb::NmrOneD 335646 Specdb::NmrOneD 335647 Specdb::NmrOneD 335648 Specdb::NmrOneD 335649 Specdb::NmrOneD 335650 Specdb::NmrOneD 335651 Specdb::NmrOneD 335652 Specdb::NmrOneD 335653 Specdb::NmrOneD 335654 Specdb::NmrOneD 335655 Specdb::NmrOneD 335656 Specdb::NmrOneD 335657 Specdb::MsMs 7889 Specdb::MsMs 7890 Specdb::MsMs 7891 Specdb::MsMs 14561 Specdb::MsMs 14562 Specdb::MsMs 14563 Specdb::MsMs 2756428 Specdb::MsMs 2756429 Specdb::MsMs 2756430 Specdb::MsMs 2948610 Specdb::MsMs 2948611 Specdb::MsMs 2948612 HMDB0035307 Alcoholic beverages Unknown generic burnt celery coconut coumarin nutty toasted tonka