1.02010-04-08 22:09:49 UTC2015-07-20 22:43:10 UTCFDB011770(±)-3-MethylcyclohexanoneFlavouring ingredient for candies etcCyclohexanone, 3-methyl-, (R)-Cyclohexanone, 3-methyl-, (S)-M-methylcyclohexanoneMethyl-3 cyclohexanone-1Tetrahydro-m-cresolC7H12O112.1696112.088815006625-96-7CC1CCCC(=O)C1InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3UJBOOUHRTQVGRU-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 oxidemelting_pointFp -73.5°average_mass112.1696mono_mass112.088815006smilesCC1CCCC(=O)C1formulaC7H12OinchiInChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3inchikeyUJBOOUHRTQVGRU-UHFFFAOYSA-NSpecdb::CMs10853Specdb::CMs27287Specdb::CMs28543Specdb::CMs101357Specdb::CMs101358Specdb::CMs132395Specdb::CMs140129Specdb::MsIr6195Specdb::MsIr6196Specdb::NmrOneD121398Specdb::NmrOneD121399Specdb::NmrOneD121400Specdb::NmrOneD121401Specdb::NmrOneD121402Specdb::NmrOneD121403Specdb::NmrOneD121404Specdb::NmrOneD121405Specdb::NmrOneD121406Specdb::NmrOneD121407Specdb::NmrOneD121408Specdb::NmrOneD121409Specdb::NmrOneD121410Specdb::NmrOneD121411Specdb::NmrOneD121412Specdb::NmrOneD121413Specdb::NmrOneD121414Specdb::NmrOneD121415Specdb::NmrOneD121416Specdb::NmrOneD121417Specdb::MsMs10238Specdb::MsMs10239Specdb::MsMs10240Specdb::MsMs16910Specdb::MsMs16911Specdb::MsMs16912Specdb::MsMs2764353Specdb::MsMs2764354Specdb::MsMs2764355Specdb::MsMs2941498Specdb::MsMs2941499Specdb::MsMs2941500camphoraceous