1.0 2010-04-08 22:11:37 UTC 2015-07-20 23:14:17 UTC FDB015061 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol Present in food as an artifact arising from reaction of <ht>BKR94-M</ht> flavouring and 1,2-Propanediol <ht>DFN63-V</ht> solvent 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)-phenol 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, 9CI Ethyl vanillin propylene glycol acetal Ethyl vanillin propyleneglycol acetal Phenol, 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)- C12H16O4 224.253 224.104859 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol 68527-76-4 CCOC1=C(O)C=CC(=C1)C1OCC(C)O1 InChI=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,3,7H2,1-2H3 IFUIILQWHYHIEK-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 ethers Organic compounds Benzenoids Phenol ethers Aromatic heteromonocyclic compounds 1,3-dioxolanes 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Hydrocarbon derivatives Oxacyclic compounds Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Acetal Alkyl aryl ether Aromatic heteromonocyclic compound Ether Hydrocarbon derivative Meta-dioxolane Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Phenol ether Phenoxy compound logp 1.77 ALOGPS logs -1.95 ALOGPS solubility 2.52e+00 g/l ALOGPS logp 2.27 ChemAxon pka_strongest_acidic 9.86 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol ChemAxon average_mass 224.253 ChemAxon mono_mass 224.104859 ChemAxon smiles CCOC1=C(O)C=CC(=C1)C1OCC(C)O1 ChemAxon formula C12H16O4 ChemAxon inchi InChI=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,3,7H2,1-2H3 ChemAxon inchikey IFUIILQWHYHIEK-UHFFFAOYSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 59.05 ChemAxon polarizability 24.12 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 134278 Specdb::NmrOneD 134279 Specdb::NmrOneD 134280 Specdb::NmrOneD 134281 Specdb::NmrOneD 134282 Specdb::NmrOneD 134283 Specdb::NmrOneD 134284 Specdb::NmrOneD 134285 Specdb::NmrOneD 134286 Specdb::NmrOneD 134287 Specdb::NmrOneD 134288 Specdb::NmrOneD 134289 Specdb::NmrOneD 134290 Specdb::NmrOneD 134291 Specdb::NmrOneD 134292 Specdb::NmrOneD 134293 Specdb::NmrOneD 134294 Specdb::NmrOneD 134295 Specdb::NmrOneD 134296 Specdb::NmrOneD 134297 Specdb::CMs 16187 Specdb::CMs 44773 Specdb::CMs 132819 Specdb::CMs 140553 Specdb::MsMs 73032 Specdb::MsMs 73033 Specdb::MsMs 73034 Specdb::MsMs 132111 Specdb::MsMs 132112 Specdb::MsMs 132113 Specdb::MsMs 2408333 Specdb::MsMs 2408334 Specdb::MsMs 2408335 Specdb::MsMs 2554018 Specdb::MsMs 2554019 Specdb::MsMs 2554020 HMDB36203 #<Reference:0x000055ce3349fe88> creamy spicy sweet vanilla