1.02010-04-08 22:08:42 UTC2018-05-28 23:24:40 UTCFDB0096032-(2-Hydroxy-4-methyl-3-cyclohexenyl)propionic acid gamma-lactoneIt is used as a food additive .3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3h)-benzofuranonetetrahydro-3,6-dimethyl-2(3H)-benzofuranone, 3a,4,5,7aC10H14O2166.217166.0993796923,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-2-onewine lactone182699-77-0CC1C2CCC(C)=CC2OC1=OInChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3NQWBFQXRASPNLB-UHFFFAOYSA-N belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.BenzofuransOrganic compoundsOrganoheterocyclic compoundsBenzofuransAliphatic heteropolycyclic compoundsCarbonyl compoundsCarboxylic acid estersGamma butyrolactonesHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsTetrahydrofuransAliphatic heteropolycyclic compoundBenzofuranCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterGamma butyrolactoneHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleTetrahydrofuranlogp2.37logs-1.61solubility4.12e+00 g/llogp2.01pka_strongest_basic-7.1iupac3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran-2-oneaverage_mass166.217mono_mass166.099379692smilesCC1C2CCC(C)=CC2OC1=OformulaC10H14O2inchiInChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3inchikeyNQWBFQXRASPNLB-UHFFFAOYSA-Npolar_surface_area26.3refractivity46.34polarizability18.21rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs14370Specdb::CMs160320Specdb::MsMs17117Specdb::MsMs17118Specdb::MsMs17119Specdb::MsMs2607657Specdb::MsMs2607658Specdb::MsMs2607659Specdb::MsMs10445Specdb::MsMs10446Specdb::MsMs10447Specdb::MsMs2354422Specdb::MsMs2354423Specdb::MsMs2354424Specdb::NmrOneD16002Specdb::NmrOneD16003Specdb::NmrOneD16004Specdb::NmrOneD16005Specdb::NmrOneD16006Specdb::NmrOneD16007Specdb::NmrOneD16008Specdb::NmrOneD16009Specdb::NmrOneD16010Specdb::NmrOneD16011Specdb::NmrOneD16012Specdb::NmrOneD16013Specdb::NmrOneD16014Specdb::NmrOneD16015Specdb::NmrOneD16016Specdb::NmrOneD16017Specdb::NmrOneD16018Specdb::NmrOneD16019Specdb::NmrOneD16020Specdb::NmrOneD16021HMDB29691#<Reference:0x0000555675ccc060>spicysweetwoody