1.02010-04-08 22:11:30 UTC2015-07-20 23:11:51 UTCFDB0148432,4,6-Trimethyl-4-phenyl-1,3-dioxaneFragrance ingredient with a grapefruit-like aroma1,3-Dioxane, 2,4,6-trimethyl-4-phenyl-FloralateVertacetalC13H18O2206.2808206.130679822,4,6-trimethyl-4-phenyl-1,3-dioxane2,4,6-trimethyl-4-phenyl-1,3-dioxane5182-36-5CC1CC(C)(OC(C)O1)C1=CC=CC=C1InChI=1S/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3IEZPIUQRQRWIFE-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,3-dioxanes. These are organic compounds containing 1,3-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 3.1,3-dioxanesOrganic compoundsOrganoheterocyclic compoundsDioxanes1,3-dioxanesAromatic heteromonocyclic compoundsAcetalsBenzene and substituted derivativesHydrocarbon derivativesOxacyclic compoundsAcetalAromatic heteromonocyclic compoundBenzenoidHydrocarbon derivativeMeta-dioxaneMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundOxacyclelogp3.19logs-3.36solubility8.93e-02 g/llogp2.79pka_strongest_basic-4.1iupac2,4,6-trimethyl-4-phenyl-1,3-dioxaneaverage_mass206.2808mono_mass206.13067982smilesCC1CC(C)(OC(C)O1)C1=CC=CC=C1formulaC13H18O2inchiInChI=1S/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3inchikeyIEZPIUQRQRWIFE-UHFFFAOYSA-Npolar_surface_area18.46refractivity59.94polarizability23.75rotatable_bond_count1acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::CMs19388Specdb::CMs156699Specdb::MsMs71004Specdb::MsMs71005Specdb::MsMs71006Specdb::MsMs129582Specdb::MsMs129583Specdb::MsMs129584Specdb::MsMs2790491Specdb::MsMs2790492Specdb::MsMs2790493Specdb::MsMs2915555Specdb::MsMs2915556Specdb::MsMs2915557HMDB36025#<Reference:0x0000555675a4d0f0>citrusfreshgardeniagreennatural