1.0 2010-04-08 22:13:00 UTC 2019-11-26 03:14:36 UTC FDB017284 xi-5-Acetyltetrahydro-2(3H)-furanone Aroma constituent of wine especies sherry. Formed during fermentation. xi-5-Acetyltetrahydro-2(3H)-furanone is found in alcoholic beverages. C6H8O3 128.1259 128.047344122 5-acetyloxolan-2-one 5-acetyloxolan-2-one CC(=O)C1CCC(=O)O1 InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3 AHLDCEZSQNGEFT-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha-acyloxy ketones. These are ketones that have an acyloxy substituent alpha to the carbonyl group. They have the general structure R4C(=O)OC(R2)(R3)C(R1)=O (R1=organyl, R4=H or organyl; R2,R3 = any atom). Alpha-acyloxy ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic heteromonocyclic compounds Carboxylic acid esters Gamma butyrolactones Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteromonocyclic compound Alpha-acyloxy ketone Carboxylic acid derivative Carboxylic acid ester Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organoheterocyclic compound Oxacycle Tetrahydrofuran logp -0.30 ALOGPS logs 0.35 ALOGPS solubility 2.84e+02 g/l ALOGPS logp 0.17 ChemAxon pka_strongest_acidic 17 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5-acetyloxolan-2-one ChemAxon average_mass 128.1259 ChemAxon mono_mass 128.047344122 ChemAxon smiles CC(=O)C1CCC(=O)O1 ChemAxon formula C6H8O3 ChemAxon inchi InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3 ChemAxon inchikey AHLDCEZSQNGEFT-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 29.69 ChemAxon polarizability 12.2 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20535 Specdb::CMs 171708 Specdb::MsMs 88869 Specdb::MsMs 88870 Specdb::MsMs 88871 Specdb::MsMs 151677 Specdb::MsMs 151678 Specdb::MsMs 151679 Specdb::MsMs 2702805 Specdb::MsMs 2702806 Specdb::MsMs 2702807 Specdb::MsMs 3002500 Specdb::MsMs 3002501 Specdb::MsMs 3002502 Specdb::MsIr 7809 Specdb::MsIr 7810 Specdb::NmrOneD 24782 Specdb::NmrOneD 24783 Specdb::NmrOneD 24784 Specdb::NmrOneD 24785 Specdb::NmrOneD 24786 Specdb::NmrOneD 24787 Specdb::NmrOneD 24788 Specdb::NmrOneD 24789 Specdb::NmrOneD 24790 Specdb::NmrOneD 24791 Specdb::NmrOneD 24792 Specdb::NmrOneD 24793 Specdb::NmrOneD 24794 Specdb::NmrOneD 24795 Specdb::NmrOneD 24796 Specdb::NmrOneD 24797 Specdb::NmrOneD 24798 Specdb::NmrOneD 24799 Specdb::NmrOneD 24800 Specdb::NmrOneD 24801 HMDB38072 #<Reference:0x000055ce317ceb10> Alcoholic beverages Unknown generic