1.0 2010-04-08 22:08:02 UTC 2025-11-18 23:09:28 UTC FDB008344 (±)-Dihydro-5-octyl-2(3H)-furanone It is used in perfumery and flavour industries. C12H22O2 198.3019 198.161979948 5-octyloxolan-2-one 5-octyloxolan-2-one 57084-18-1 CCCCCCCCC1CCC(=O)O1 InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3 WGPCZPLRVAWXPW-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 logp 4.38 ALOGPS logs -4.17 ALOGPS solubility 1.34e-02 g/l ALOGPS logp 3.76 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5-octyloxolan-2-one ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CCCCCCCCC1CCC(=O)O1 ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h11H,2-10H2,1H3 ChemAxon inchikey WGPCZPLRVAWXPW-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.86 ChemAxon polarizability 24.64 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4834 Specdb::MsIr 4835 Specdb::CMs 26032 Specdb::CMs 29264 Specdb::CMs 100933 Specdb::CMs 152233 Specdb::MsMs 6545 Specdb::MsMs 6546 Specdb::MsMs 6547 Specdb::MsMs 13217 Specdb::MsMs 13218 Specdb::MsMs 13219 Specdb::MsMs 444926 Specdb::MsMs 444927 Specdb::MsMs 444928 Specdb::MsMs 2236077 Specdb::MsMs 2237289 Specdb::MsMs 2241400 Specdb::MsMs 2242407 Specdb::MsMs 2243469 Specdb::MsMs 2291106 Specdb::MsMs 2291107 Specdb::MsMs 2291108 Specdb::MsMs 2644911 Specdb::MsMs 2644912 Specdb::MsMs 2644913 HMDB0031683