1.02010-04-08 22:14:52 UTC2015-07-21 06:43:36 UTCFDB0202012-(1-Methylpropyl)cyclohexanoneFlavouring ingredient2-(1-Methylpropyl)-cyclohexanone2-Sec-butyl-cyclohexanone2-sec-Butylcyclohexan-1-one2-sec-ButylcyclohexanoneButylcyclohexanone, o-sec-Cyclohexanone, 2-(1-methylpropyl)-Cyclohexanone, 2-sec-butyl-Cyclohexanone, 2-sec-butyl- (7CI,8CI)Cyclohexanone, sec-butyl, # 1Cyclohexanone, sec-butyl, # 2Cyclohexanone, sec.-butyl, # 2FEMA 3261FreskomentheO-Sec-butylcyclohexanoneC10H18O154.2493154.1357651982-(butan-2-yl)cyclohexan-1-one2-(sec-butyl)cyclohexan-1-one14765-30-1CCC(C)C1CCCCC1=OInChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3RQXTZKGDMNIWJF-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.Cyclic ketonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic homomonocyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic homomonocyclic compoundCyclic ketoneHydrocarbon derivativeOrganic oxidelogp2.91logs-2.51solubility4.77e-01 g/llogp3.21pka_strongest_basic-7.4iupac2-(butan-2-yl)cyclohexan-1-oneaverage_mass154.2493mono_mass154.135765198smilesCCC(C)C1CCCCC1=OformulaC10H18OinchiInChI=1S/C10H18O/c1-3-8(2)9-6-4-5-7-10(9)11/h8-9H,3-7H2,1-2H3inchikeyRQXTZKGDMNIWJF-UHFFFAOYSA-Npolar_surface_area17.07refractivity46.57polarizability18.82rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs13625Specdb::CMs29789Specdb::CMs102150Specdb::CMs162638Specdb::MsMs57744Specdb::MsMs57745Specdb::MsMs57746Specdb::MsMs113511Specdb::MsMs113512Specdb::MsMs113513Specdb::MsMs3036914Specdb::MsMs3036915Specdb::MsMs3036916Specdb::MsMs3106577Specdb::MsMs3106578Specdb::MsMs3106579HMDB40448#<Reference:0x00005556740bc9d8>camphorfreshmintmintymustypeppermintvanillawoody