1.02010-04-08 22:09:31 UTC2015-07-20 22:38:54 UTCFDB0112156-DecanolideFood flavour ingredient. Not reported in nature2-Oxepanone, 7-butyl-6-Butylhexanolide6-Decanolide6-Hydroxydecanoic acid epsilon-lactone7-Butyl-2-oxepanone7-Butyl-2-oxepanone, 9CI, 8CI7-Butyloxepan-2-onee-DecalactoneEpsilon-decalactoneFEMA 3613C10H18O2170.2487170.130679827-butyloxepan-2-oneepsilon-decalactone5579-78-2CCCCC1CCCCC(=O)O1InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3YKVIWISPFDZYOW-UHFFFAOYSA-N belongs to the class of organic compounds known as lactones. These are cyclic esters of hydroxy carboxylic acids, containing a 1-oxacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring.LactonesOrganic compoundsOrganoheterocyclic compoundsLactonesAliphatic heteromonocyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsOxepanesAliphatic heteromonocyclic compoundCaprolactoneCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeLactoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxacycleOxepanelogp2.92logs-2.78solubility2.81e-01 g/llogp2.87pka_strongest_basic-7iupac7-butyloxepan-2-oneaverage_mass170.2487mono_mass170.13067982smilesCCCCC1CCCCC(=O)O1formulaC10H18O2inchiInChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3inchikeyYKVIWISPFDZYOW-UHFFFAOYSA-Npolar_surface_area26.3refractivity47.65polarizability20.17rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr6042Specdb::MsIr6043Specdb::CMs18178Specdb::CMs172309Specdb::MsMs98829Specdb::MsMs98830Specdb::MsMs98831Specdb::MsMs163839Specdb::MsMs163840Specdb::MsMs163841Specdb::MsMs2239516Specdb::MsMs2240207Specdb::MsMs2241514Specdb::MsMs2242236Specdb::MsMs2243625Specdb::MsMs2801152Specdb::MsMs2801153Specdb::MsMs2801154Specdb::MsMs2877476Specdb::MsMs2877477Specdb::MsMs2877478HMDB33203#<Reference:0x0000555670e1f070>creamysweettonka