1.02010-04-08 22:08:03 UTC2019-11-26 03:02:34 UTCFDB0083934-Hexyl-gamma-butyrolactoneXi-5-hexyldihydro-2(3h)-furanone, also known as 4-decanolide or gamma-decanolactone, is a member of the class of 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. Xi-5-hexyldihydro-2(3h)-furanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Xi-5-hexyldihydro-2(3h)-furanone can be found in fruits, which makes xi-5-hexyldihydro-2(3h)-furanone a potential biomarker for the consumption of this food product. (±)-4-n-Hexylbutyrolactone(±)-gamma-Decalactone(±)-gamma-Decanolactone(RS)-gamma-Decalactone2-Decalactone4-Decanolide4-Hexyl-4-butanolide4-Hexyl-gamma-butyrolactone4-Hydroxydecanoic acid gamma-lactone4-Hydroxydecanoic acid lactone, 8CI5-Hexyldihydro-2(3H)-furanoneDecanolactoneg-Decalactoneg-Hexylbutyrolactonegamma-Decalactonegamma-Decanolactonegamma-Decanolidegamma-Hexyl-gamma-butyrolactonegamma-HexylbutyrolactoneC10H18O2170.2487170.130679825-hexyloxolan-2-onegamma-decalactone706-14-9CCCCCCC1CCC(=O)O1InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3IFYYFLINQYPWGJ-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 estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsTetrahydrofuransAliphatic heteromonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterGamma butyrolactoneHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleTetrahydrofuranlogp3.52logs-3.13solubility1.27e-01 g/llogp2.87pka_strongest_basic-7iupac5-hexyloxolan-2-oneaverage_mass170.2487mono_mass170.13067982smilesCCCCCCC1CCC(=O)O1formulaC10H18O2inchiInChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3inchikeyIFYYFLINQYPWGJ-UHFFFAOYSA-Npolar_surface_area26.3refractivity47.65polarizability20.38rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::EiMs1900Specdb::CMs2411Specdb::CMs29262Specdb::CMs101859Specdb::CMs160368Specdb::MsIr7473Specdb::MsIr7474Specdb::NmrOneD4248Specdb::NmrOneD342288Specdb::NmrOneD342289Specdb::NmrOneD342290Specdb::NmrOneD342291Specdb::NmrOneD342292Specdb::NmrOneD342293Specdb::NmrOneD342294Specdb::NmrOneD342295Specdb::NmrOneD342296Specdb::NmrOneD342297Specdb::NmrOneD342298Specdb::NmrOneD342299Specdb::NmrOneD342300Specdb::NmrOneD342301Specdb::NmrOneD342302Specdb::NmrOneD342303Specdb::NmrOneD342304Specdb::NmrOneD342305Specdb::NmrOneD342306Specdb::NmrOneD342307Specdb::MsMs9881Specdb::MsMs9882Specdb::MsMs9883Specdb::MsMs16553Specdb::MsMs16554Specdb::MsMs16555Specdb::MsMs444912Specdb::MsMs444913Specdb::MsMs2228282Specdb::MsMs2228780Specdb::MsMs2230648Specdb::MsMs2698428Specdb::MsMs2698429Specdb::MsMs2698430Specdb::MsMs2983031Specdb::MsMs2983032Specdb::MsMs2983033ApricotType 1specificPrunus armeniaca36596BilberryType 1specificVaccinium myrtillus1807630.00110.00220.0mg/100 gBlackberryType 1specificRubusCarrotType 1specificDaucus carota ssp. sativus79200ClovesType 1specificSyzygium aromaticum219868Evergreen blackberryType 1specificRubus laciniatusHighbush blueberryType 1specificVaccinium corymbosum69266PeppermintType 1specificMentha X piperita342560.000550.000550.00055mg/100 gPrickly pearType 1specificOpuntia106975Wild carrotType 1specificDaucus carota4039Wild celeryType 1specificApium graveolens4045butterycoconutfatfreshoilypeachsweetwaxycancer preventive754A substance that inhibits or prevents the proliferation of neoplasms.irritant1055perfume1205A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.