1.02010-04-08 22:11:37 UTC2015-07-20 23:14:17 UTCFDB0150612-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenolPresent in food as an artifact arising from reaction of <ht>BKR94-M</ht> flavouring and 1,2-Propanediol <ht>DFN63-V</ht> solvent2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)-phenol2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, 9CIEthyl vanillin propylene glycol acetalEthyl vanillin propyleneglycol acetalPhenol, 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)-C12H16O4224.253224.1048592-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol68527-76-4CCOC1=C(O)C=CC(=C1)C1OCC(C)O1InChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3IFUIILQWHYHIEK-UHFFFAOYSA-N belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.Phenol ethersOrganic compoundsBenzenoidsPhenol ethersAromatic heteromonocyclic compounds1,3-dioxolanes1-hydroxy-2-unsubstituted benzenoidsAcetalsAlkyl aryl ethersHydrocarbon derivativesOxacyclic compoundsPhenoxy compounds1-hydroxy-2-unsubstituted benzenoidAcetalAlkyl aryl etherAromatic heteromonocyclic compoundEtherHydrocarbon derivativeMeta-dioxolaneMonocyclic benzene moietyOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclePhenolPhenol etherPhenoxy compoundlogp1.77logs-1.95solubility2.52e+00 g/llogp2.27pka_strongest_acidic9.86pka_strongest_basic-4iupac2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenolaverage_mass224.253mono_mass224.104859smilesCCOC1=C(O)C=CC(=C1)C1OCC(C)O1formulaC12H16O4inchiInChI=1S/C12H16O4/c1-3-14-11-6-9(4-5-10(11)13)12-15-7-8(2)16-12/h4-6,8,12-13H,3,7H2,1-2H3inchikeyIFUIILQWHYHIEK-UHFFFAOYSA-Npolar_surface_area47.92refractivity59.05polarizability24.12rotatable_bond_count3acceptor_count4donor_count1physiological_charge0formal_charge0Specdb::CMs16187Specdb::CMs44773Specdb::CMs132819Specdb::CMs140553Specdb::NmrOneD134278Specdb::NmrOneD134279Specdb::NmrOneD134280Specdb::NmrOneD134281Specdb::NmrOneD134282Specdb::NmrOneD134283Specdb::NmrOneD134284Specdb::NmrOneD134285Specdb::NmrOneD134286Specdb::NmrOneD134287Specdb::NmrOneD134288Specdb::NmrOneD134289Specdb::NmrOneD134290Specdb::NmrOneD134291Specdb::NmrOneD134292Specdb::NmrOneD134293Specdb::NmrOneD134294Specdb::NmrOneD134295Specdb::NmrOneD134296Specdb::NmrOneD134297Specdb::MsMs132111Specdb::MsMs132112Specdb::MsMs132113Specdb::MsMs2554018Specdb::MsMs2554019Specdb::MsMs2554020Specdb::MsMs73032Specdb::MsMs73033Specdb::MsMs73034Specdb::MsMs2408333Specdb::MsMs2408334Specdb::MsMs2408335HMDB36203#<Reference:0x0000555675c4d210>creamyspicysweetvanilla