1.02011-09-26 22:56:10 UTC2015-07-21 07:00:59 UTCFDB0297664-Carboethoxy-gamma-butyrolactoneFlavouring compound [Flavornet]4-Carboethoxy-gamma-butyrolactonegamma-Carboethoxy-gamma-butyrolactoneC7H10O4158.1519158.057908808ethyl 5-oxooxolane-2-carboxylateethyl 5-oxooxolane-2-carboxylate1126-51-8CCOC(=O)C1CCC(=O)O1InChI=1S/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3MJQGWRVDIFBMNW-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 butyrolactonesOrganic compoundsOrganoheterocyclic compoundsLactonesGamma butyrolactonesAliphatic heteromonocyclic compoundsCarbonyl compoundsCarboxylic acid estersDicarboxylic acids and derivativesHydrocarbon derivativesOrganic oxidesOxacyclic compoundsTetrahydrofuransAliphatic heteromonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDicarboxylic acid or derivativesGamma butyrolactoneHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleTetrahydrofuranlogp0.16logs-0.04solubility1.46e+02 g/llogp0.34pka_strongest_basic-6.9iupacethyl 5-oxooxolane-2-carboxylateaverage_mass158.1519mono_mass158.057908808smilesCCOC(=O)C1CCC(=O)O1formulaC7H10O4inchiInChI=1S/C7H10O4/c1-2-10-7(9)5-3-4-6(8)11-5/h5H,2-4H2,1H3inchikeyMJQGWRVDIFBMNW-UHFFFAOYSA-Npolar_surface_area52.6refractivity35.66polarizability15.33rotatable_bond_count3acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsIr9693Specdb::MsIr9694Specdb::CMs33511Specdb::CMs162004Specdb::NmrOneD53102Specdb::NmrOneD53103Specdb::NmrOneD53104Specdb::NmrOneD53105Specdb::NmrOneD53106Specdb::NmrOneD53107Specdb::NmrOneD53108Specdb::NmrOneD53109Specdb::NmrOneD53110Specdb::NmrOneD53111Specdb::NmrOneD53112Specdb::NmrOneD53113Specdb::NmrOneD53114Specdb::NmrOneD53115Specdb::NmrOneD53116Specdb::NmrOneD53117Specdb::NmrOneD53118Specdb::NmrOneD53119Specdb::NmrOneD53120Specdb::NmrOneD53121Specdb::MsMs884344Specdb::MsMs884345Specdb::MsMs884346Specdb::MsMs925093Specdb::MsMs925094Specdb::MsMs925095Specdb::MsMs3037700Specdb::MsMs3037701Specdb::MsMs3037702Specdb::MsMs3105293Specdb::MsMs3105294Specdb::MsMs3105295roastsmoke