1.02010-04-08 22:07:56 UTC2018-05-28 23:17:00 UTCFDB0081472-MethylcyclohexanoneIt is used as a food additive .2-Methyl-1-cyclohexanone2-Methylcyclohexanonealpha-MethylcyclohexanoneFEMA 3946o-MethylcyclohexanoneTetrahydro-o-cresolC7H12O112.1696112.0888150062-methylcyclohexan-1-one2-methylcyclohexanone583-60-8CC1CCCCC1=OInChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3LFSAPCRASZRSKS-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 oxidelogp1.46logs-1.24solubility6.40e+00 g/llogp2.03pka_strongest_basic-7.4iupac2-methylcyclohexan-1-oneaverage_mass112.1696mono_mass112.088815006smilesCC1CCCCC1=OformulaC7H12OinchiInChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3inchikeyLFSAPCRASZRSKS-UHFFFAOYSA-Npolar_surface_area17.07refractivity32.82polarizability13.11rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4599Specdb::MsIr4600Specdb::CMs22548Specdb::CMs26750Specdb::CMs27241Specdb::CMs27286Specdb::CMs100845Specdb::CMs100846Specdb::CMs100847Specdb::CMs136257Specdb::CMs143991Specdb::NmrOneD164569Specdb::NmrOneD164570Specdb::NmrOneD164571Specdb::NmrOneD164572Specdb::NmrOneD164573Specdb::NmrOneD164574Specdb::NmrOneD164575Specdb::NmrOneD164576Specdb::NmrOneD164577Specdb::NmrOneD164578Specdb::NmrOneD164579Specdb::NmrOneD164580Specdb::NmrOneD164581Specdb::NmrOneD164582Specdb::NmrOneD164583Specdb::NmrOneD164584Specdb::NmrOneD164585Specdb::NmrOneD164586Specdb::NmrOneD164587Specdb::NmrOneD164588Specdb::MsMs76464Specdb::MsMs76465Specdb::MsMs76466Specdb::MsMs136299Specdb::MsMs136300Specdb::MsMs136301Specdb::MsMs2263525Specdb::MsMs2263526Specdb::MsMs2263527Specdb::MsMs3079455Specdb::MsMs3079456Specdb::MsMs3079457mintypeppermint