1.0 2010-04-08 22:12:38 UTC 2015-07-20 23:32:20 UTC FDB016758 4-(Butoxymethyl)-2-methoxyphenol Cooling agent used in confectionery etc. 4-(Butoxymethyl)-2-methoxy-phenol 4-(Butoxymethyl)-2-methoxyphenol, 9CI Butyl vanillyl ether Phenol, 4-(butoxymethyl)-2-methoxy- Vanillyl butyl ether C12H18O3 210.2695 210.125594442 4-(butoxymethyl)-2-methoxyphenol 4-(butoxymethyl)-2-methoxyphenol 82654-98-6 CCCCOCC1=CC(OC)=C(O)C=C1 InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3 VLDFMKOUUQYFGF-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 homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Benzylethers Dialkyl ethers Hydrocarbon derivatives Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzylether Dialkyl ether Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound logp 2.78 ALOGPS logs -2.69 ALOGPS solubility 4.25e-01 g/l ALOGPS logp 2.71 ChemAxon pka_strongest_acidic 9.91 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 4-(butoxymethyl)-2-methoxyphenol ChemAxon average_mass 210.2695 ChemAxon mono_mass 210.125594442 ChemAxon smiles CCCCOCC1=CC(OC)=C(O)C=C1 ChemAxon formula C12H18O3 ChemAxon inchi InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3 ChemAxon inchikey VLDFMKOUUQYFGF-UHFFFAOYSA-N ChemAxon polar_surface_area 38.69 ChemAxon refractivity 59.94 ChemAxon polarizability 24.21 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7585 Specdb::MsIr 7586 Specdb::MsIr 7587 Specdb::CMs 24988 Specdb::CMs 45499 Specdb::CMs 137127 Specdb::CMs 144861 Specdb::MsMs 100896 Specdb::MsMs 100897 Specdb::MsMs 100898 Specdb::MsMs 166362 Specdb::MsMs 166363 Specdb::MsMs 166364 Specdb::MsMs 2382557 Specdb::MsMs 2382558 Specdb::MsMs 2382559 Specdb::MsMs 2580135 Specdb::MsMs 2580136 Specdb::MsMs 2580137 HMDB37642 #<Reference:0x000055ce3055a8d0> fruity vanilla