1.02010-04-08 22:07:57 UTC2015-07-20 22:19:07 UTCFDB0081504-MethylcyclohexanoneFlavouring for baked goods and candies4-Methyl-1-cyclohexanone4-Methyl-cyclohexanoneCyclohexanone, 4-methyl-Cyclohexanone, methyl-CYCLOHEXANONE,4-METHYLFEMA 3948MethycyclohexanoneMethyl-4 cyclohexanone-1Methyl-cyclohexanoneMethylcyclohexanoneMethylcyclohexanone [UN2297] [Flammable liquid]MetylocykloheksanonP-methyl cyclohexanoneTetrahydro-p-cresolC7H12O112.1696112.0888150064-methylcyclohexan-1-one4-methylcyclohexanone589-92-4CC1CCC(=O)CC1InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3VGVHNLRUAMRIEW-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-1.28solubility5.94e+00 g/lmelting_pointFp -40.6°logp1.78pka_strongest_basic-7.3iupac4-methylcyclohexan-1-oneaverage_mass112.1696mono_mass112.088815006smilesCC1CCC(=O)CC1formulaC7H12OinchiInChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3inchikeyVGVHNLRUAMRIEW-UHFFFAOYSA-Npolar_surface_area17.07refractivity32.8polarizability13.11rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr4601Specdb::MsIr4602Specdb::NmrOneD19182Specdb::NmrOneD19183Specdb::NmrOneD19184Specdb::NmrOneD19185Specdb::NmrOneD19186Specdb::NmrOneD19187Specdb::NmrOneD19188Specdb::NmrOneD19189Specdb::NmrOneD19190Specdb::NmrOneD19191Specdb::NmrOneD19192Specdb::NmrOneD19193Specdb::NmrOneD19194Specdb::NmrOneD19195Specdb::NmrOneD19196Specdb::NmrOneD19197Specdb::NmrOneD19198Specdb::NmrOneD19199Specdb::NmrOneD19200Specdb::NmrOneD19201Specdb::CMs24958Specdb::CMs27288Specdb::CMs29791Specdb::CMs100848Specdb::CMs100849Specdb::CMs168815Specdb::MsMs67953Specdb::MsMs67954Specdb::MsMs67955Specdb::MsMs125871Specdb::MsMs125872Specdb::MsMs125873Specdb::MsMs2304582Specdb::MsMs2304583Specdb::MsMs2304584Specdb::MsMs3061784Specdb::MsMs3061785Specdb::MsMs3061786HMDB31540#<Reference:0x0000555675c54d58>#<Reference:0x0000555675c54b50>#<Reference:0x0000555675c548f8>#<Reference:0x0000555675c546c8>#<Reference:0x0000555675c54510>#<Reference:0x0000555675c54358>#<Reference:0x0000555675c54128>#<Reference:0x0000555675c53f20>#<Reference:0x0000555675c53ca0>#<Reference:0x0000555675c539d0>#<Reference:0x0000555675c53750>#<Reference:0x0000555675c53520>#<Reference:0x0000555675c53368>animalmusty