1.02010-04-08 22:07:57 UTC2015-07-20 22:19:07 UTCFDB0081513-Methyl-2-cyclohexen-1-oneFlavouring ingredient2-Cyclohexen-1-one, 3-methyl-3-Methyl-2-cyclohexene-1-one3-Methyl-2-cyclohexenone3-methyl-2-cyclohexenone-13-Methylcyclohex-2-en-1-oneFEMA 3360ghl.PD_Mitscher_leg0.699MCHMethylcyclohexenoneSeudenoneC7H10O110.1537110.0731649423-methylcyclohex-2-en-1-one2-cyclohexen-1-one, 3-methyl-1193-18-6CC1=CC(=O)CCC1InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3IITQJMYAYSNIMI-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.CyclohexenonesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAliphatic homomonocyclic compoundsHydrocarbon derivativesOrganic oxidesAliphatic homomonocyclic compoundCyclohexenoneHydrocarbon derivativeOrganic oxideLiquidlogp1.03logs-1.13solubility8.09e+00 g/lmelting_pointMp -21°logp1.73pka_strongest_acidic19.1pka_strongest_basic-4.5iupac3-methylcyclohex-2-en-1-oneaverage_mass110.1537mono_mass110.073164942smilesCC1=CC(=O)CCC1formulaC7H10OinchiInChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3inchikeyIITQJMYAYSNIMI-UHFFFAOYSA-Npolar_surface_area17.07refractivity33.62polarizability12.51rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4603Specdb::MsIr4604Specdb::CMs14151Specdb::CMs29162Specdb::CMs100850Specdb::CMs137907Specdb::CMs145641Specdb::NmrOneD19202Specdb::NmrOneD19203Specdb::NmrOneD19204Specdb::NmrOneD19205Specdb::NmrOneD19206Specdb::NmrOneD19207Specdb::NmrOneD19208Specdb::NmrOneD19209Specdb::NmrOneD19210Specdb::NmrOneD19211Specdb::NmrOneD19212Specdb::NmrOneD19213Specdb::NmrOneD19214Specdb::NmrOneD19215Specdb::NmrOneD19216Specdb::NmrOneD19217Specdb::NmrOneD19218Specdb::NmrOneD19219Specdb::NmrOneD19220Specdb::NmrOneD19221Specdb::MsMs9962Specdb::MsMs9963Specdb::MsMs9964Specdb::MsMs16634Specdb::MsMs16635Specdb::MsMs16636Specdb::MsMs2770778Specdb::MsMs2770779Specdb::MsMs2770780Specdb::MsMs2907456Specdb::MsMs2907457Specdb::MsMs2907458HMDB31541#<Reference:0x0000555675631890>caramelcherrynutphenolic