1.0 2010-04-08 22:09:07 UTC 2025-11-18 23:19:25 UTC FDB010426 Tuberose lactone It is used as a food additive . C12H18O2 194.274 194.13067982 5-[(2Z,5Z)-octa-2,5-dien-1-yl]oxolan-2-one 5-[(2Z,5Z)-octa-2,5-dien-1-yl]oxolan-2-one 153175-57-6 [H]\C(CC)=C(/[H])C\C([H])=C(\[H])CC1CCC(=O)O1 InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h3-4,6-7,11H,2,5,8-10H2,1H3/b4-3-,7-6- YNHBLISDDXOUDQ-CWWKMNTPSA-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 3.52 ALOGPS logs -3.53 ALOGPS solubility 5.68e-02 g/l ALOGPS logp 3.03 ChemAxon pka_strongest_basic -7 ChemAxon iupac 5-[(2Z,5Z)-octa-2,5-dien-1-yl]oxolan-2-one ChemAxon average_mass 194.274 ChemAxon mono_mass 194.13067982 ChemAxon smiles [H]\C(CC)=C(/[H])C\C([H])=C(\[H])CC1CCC(=O)O1 ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h3-4,6-7,11H,2,5,8-10H2,1H3/b4-3-,7-6- ChemAxon inchikey YNHBLISDDXOUDQ-CWWKMNTPSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 59.09 ChemAxon polarizability 22.24 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 53769 Specdb::MsMs 53770 Specdb::MsMs 53771 Specdb::MsMs 169617 Specdb::MsMs 169618 Specdb::MsMs 169619 Specdb::MsMs 3605152 Specdb::MsMs 3605153 Specdb::MsMs 3605154 Specdb::MsMs 3606164 Specdb::MsMs 3606165 Specdb::MsMs 3606166 52937 herbal