1.02010-04-08 22:09:10 UTC2019-11-26 03:03:44 UTCFDB0105392-Vinylphenol2-vinylphenol is a member of the class of compounds known as styrenes. Styrenes are organic compounds containing an ethenylbenzene moiety. 2-vinylphenol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-vinylphenol can be found in ceylon cinnamon and chinese cinnamon, which makes 2-vinylphenol a potential biomarker for the consumption of these food products. 2-vinylphenol is a phenolic compound found in wine and beer. It is produced by the spoilage yeast Brettanomyces. When it reaches concentrations greater than the sensory threshold, it can give the wine aromas described as barnyard, medicinal, band-aids, and mousy. In wine, 4-vinylphenol can react with other molecules, such as anthocyanidins, to produce new chemical compounds. In white wines vinylphenols are dominant (4-vinylphenol 70-1 150 μg/l, 4-vinylguajacol 10-490 μg/l) whereas, in red wines, it's the corresponding ethyl-phenols .(2-Hydroxyphenyl)ethylene2-Ethenylphenol, 9CI2-HydroxystyreneC8H8O120.1485120.0575148782-ethenylphenol2-ethenylphenol695-84-1OC1=CC=CC=C1C=CInChI=1S/C8H8O/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H2JESXATFQYMPTNL-UHFFFAOYSA-N belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.StyrenesOrganic compoundsBenzenoidsBenzene and substituted derivativesStyrenesAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsHydrocarbon derivativesOrganooxygen compounds1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic homomonocyclic compoundHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPhenolStyrenelogp2.11logs-1.15solubility8.56e+00 g/llogp2.41pka_strongest_acidic9.41pka_strongest_basic-6iupac2-ethenylphenolaverage_mass120.1485mono_mass120.057514878smilesOC1=CC=CC=C1C=CformulaC8H8OinchiInChI=1S/C8H8O/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H2inchikeyJESXATFQYMPTNL-UHFFFAOYSA-Npolar_surface_area20.23refractivity37.73polarizability13.04rotatable_bond_count1acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::CMs74393Specdb::MsMs93426Specdb::MsMs93427Specdb::MsMs93428Specdb::MsMs157200Specdb::MsMs157201Specdb::MsMs157202Ceylon cinnamonType 1specificCinnamomum verum1286080.750.750.75mg/100 gChinese cinnamonType 1specificCinnamomum aromaticum119260