1.0 2010-04-08 22:11:37 UTC 2015-07-20 23:14:16 UTC FDB015056 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol Present in food as an artifact arising from reaction of <ht>BJR54-T</ht> flavouring and 1,2-Propanediol <ht>DFN63-V</ht> solvent 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)-phenol 2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, 9CI Phenol, 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)- Vanillin propylene glycol acetal Vanillin propylene glycol acetate Vanillin propyleneglycol acetal C11H14O4 210.2265 210.089208936 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol 68527-74-2 COC1=C(O)C=CC(=C1)C1OCC(C)O1 InChI=1S/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3 RFGCVZIIIHRESZ-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic heteromonocyclic compounds 1,3-dioxolanes 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Oxacyclic compounds Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Acetal Alkyl aryl ether Anisole Aromatic heteromonocyclic compound Ether Hydrocarbon derivative Meta-dioxolane Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound logp 1.22 ALOGPS logs -1.69 ALOGPS solubility 4.31e+00 g/l ALOGPS logp 1.91 ChemAxon pka_strongest_acidic 9.88 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol ChemAxon average_mass 210.2265 ChemAxon mono_mass 210.089208936 ChemAxon smiles COC1=C(O)C=CC(=C1)C1OCC(C)O1 ChemAxon formula C11H14O4 ChemAxon inchi InChI=1S/C11H14O4/c1-7-6-14-11(15-7)8-3-4-9(12)10(5-8)13-2/h3-5,7,11-12H,6H2,1-2H3 ChemAxon inchikey RFGCVZIIIHRESZ-UHFFFAOYSA-N ChemAxon polar_surface_area 47.92 ChemAxon refractivity 54.3 ChemAxon polarizability 21.94 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9345 Specdb::CMs 44771 Specdb::CMs 149406 Specdb::MsMs 65259 Specdb::MsMs 65260 Specdb::MsMs 65261 Specdb::MsMs 122628 Specdb::MsMs 122629 Specdb::MsMs 122630 Specdb::MsMs 2715763 Specdb::MsMs 2715764 Specdb::MsMs 2715765 Specdb::MsMs 2966640 Specdb::MsMs 2966641 Specdb::MsMs 2966642 Specdb::NmrOneD 134258 Specdb::NmrOneD 134259 Specdb::NmrOneD 134260 Specdb::NmrOneD 134261 Specdb::NmrOneD 134262 Specdb::NmrOneD 134263 Specdb::NmrOneD 134264 Specdb::NmrOneD 134265 Specdb::NmrOneD 134266 Specdb::NmrOneD 134267 Specdb::NmrOneD 134268 Specdb::NmrOneD 134269 Specdb::NmrOneD 134270 Specdb::NmrOneD 134271 Specdb::NmrOneD 134272 Specdb::NmrOneD 134273 Specdb::NmrOneD 134274 Specdb::NmrOneD 134275 Specdb::NmrOneD 134276 Specdb::NmrOneD 134277 HMDB36199 #<Reference:0x000055ce31864278> chocolate creamy dairy powdery sweet vanilla