1.0 2010-04-08 22:09:10 UTC 2019-11-26 03:03:44 UTC FDB010540 4-Vinylphenol Flavour component of tea; flavouring ingredient 4-hydroxystyrene occurs frequently in different ciders, wines, foods and berries, e.g. cloudberry. Styrene is a prohapten metabolized in the skin by aryl hydrocarbon hydroxylase (AHH, EC 1.14.14.1) to styrene epoxide acting as the true hapten. Styrene occurs in nature and as a synthetic product.(PMID: 6713846). 4-Vinylphenol is found in many foods, some of which are asparagus, highbush blueberry, tea, and beer. (4-Hydroxyphenyl)ethylene 4-Ethenylphenol 4-Ethenylphenol, 9CI 4-Hydroxystyrene FEMA 3739 Methyl angolensate P-hydroxystyrene P-vinyl-phenol P-vinylphenol Para-vinyl phenol Phenol, 4-ethenyl- Phenol, 4-ethenyl- (9CI) Phenol, p-vinyl- Poly(4-hydroxystyrene) Poly(4-vinylphenol) C8H8O 120.1485 120.057514878 4-ethenylphenol 4-vinylphenol 2628-17-3 OC1=CC=C(C=C)C=C1 InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 FUGYGGDSWSUORM-UHFFFAOYSA-N belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety. Styrenes Organic compounds Benzenoids Benzene and substituted derivatives Styrenes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenol Styrene a small molecule phenols Solid logp 2.07 ALOGPS logs -1.16 ALOGPS solubility 8.40e+00 g/l ALOGPS melting_point Mp 68-69° logp 2.41 ChemAxon pka_strongest_acidic 9.56 ChemAxon pka_strongest_basic -5.9 ChemAxon iupac 4-ethenylphenol ChemAxon average_mass 120.1485 ChemAxon mono_mass 120.057514878 ChemAxon smiles OC1=CC=C(C=C)C=C1 ChemAxon formula C8H8O ChemAxon inchi InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2 ChemAxon inchikey FUGYGGDSWSUORM-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 37.73 ChemAxon polarizability 13.15 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2472 Specdb::CMs 32119 Specdb::CMs 32120 Specdb::CMs 38702 Specdb::CMs 99832 Specdb::CMs 99833 Specdb::CMs 164176 Specdb::MsIr 2111 Specdb::MsIr 2112 Specdb::MsIr 2113 Specdb::NmrOneD 149760 Specdb::NmrOneD 149761 Specdb::NmrOneD 149762 Specdb::NmrOneD 149763 Specdb::NmrOneD 149764 Specdb::NmrOneD 149765 Specdb::NmrOneD 149766 Specdb::NmrOneD 149767 Specdb::NmrOneD 149768 Specdb::NmrOneD 149769 Specdb::NmrOneD 149770 Specdb::NmrOneD 149771 Specdb::NmrOneD 149772 Specdb::NmrOneD 149773 Specdb::NmrOneD 149774 Specdb::NmrOneD 149775 Specdb::NmrOneD 149776 Specdb::NmrOneD 149777 Specdb::NmrOneD 149778 Specdb::NmrOneD 149779 Specdb::MsMs 102444 Specdb::MsMs 102445 Specdb::MsMs 102446 Specdb::MsMs 168255 Specdb::MsMs 168256 Specdb::MsMs 168257 Specdb::MsMs 1471157 Specdb::MsMs 2313590 Specdb::MsMs 2313591 Specdb::MsMs 2313592 Specdb::MsMs 2652539 Specdb::MsMs 2652540 Specdb::MsMs 2652541 HMDB04072 1883 #<Reference:0x000055ce2f3776e0> #<Reference:0x000055ce2f3771b8> #<Reference:0x000055ce2f376c68> Asparagus Type 1 specific Asparagus officinalis 4686 Beer Type 2 specific 0.09385 0.17 0.00453 mg/100 g Bilberry Type 1 specific Vaccinium myrtillus 180763 0.0 0.0 0.0 mg/100 g Black tea Type 1 Blackberry Type 1 specific Rubus Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/100 g Evergreen blackberry Type 1 specific Rubus laciniatus Green tea Type 1 Herbal tea Type 1 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 0.0035 0.007 0.0 mg/100 g Red tea Type 1 Taco Type 2 specific 0.0 0.0 0.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 Tortilla Type 2 specific 0.0 0.0 0.0 mg/100 g Tortilla chip Type 2 specific White wine Type 2 0.09 0.09 0.09 mg/100 g almond shell almondshell chemical medical phenolic sweet