1.0 2010-04-08 22:04:32 UTC 2024-11-29 22:26:58 UTC FDB000358 4-Ethylphenol 4-Ethylphenol (4-EP) is a phenolic compound produced in wine and beer by the spoilage yeast Brettanomyces. 4-Ethylphenol is found in many foods, some of which are red raspberry, beer, arabica coffee, and corn. 1-Ethyl-4-hydroxybenzene 1-Hydroxy-4-ethylbenzene 4-hydroxyphenylethane p-Ethylphenol Para-ethylphenol Paraethylphenol C8H10O 122.1644 122.073164942 4-ethylphenol ethylphenol 123-07-9 CCC1=CC=C(O)C=C1 InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 HXDOZKJGKXYMEW-UHFFFAOYSA-N belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that are unsubstituted at the 2-position. 1-hydroxy-2-unsubstituted benzenoids Organic compounds Benzenoids Phenols 1-hydroxy-2-unsubstituted benzenoids Aromatic homomonocyclic compounds Benzene and substituted derivatives Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound an aromatic compound phenols Solid logp 2.54 ALOGPS logs -1.30 ALOGPS solubility 6.15e+00 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_acidic 10.32 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 4-ethylphenol ChemAxon average_mass 122.1644 ChemAxon mono_mass 122.073164942 ChemAxon smiles CCC1=CC=C(O)C=C1 ChemAxon formula C8H10O ChemAxon inchi InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 ChemAxon inchikey HXDOZKJGKXYMEW-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 37.68 ChemAxon polarizability 13.86 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Metabolsim and Physiological Effects of 4-Ethylphenylsulfate SMP0125541 Specdb::EiMs 652 Specdb::MsIr 3387 Specdb::MsIr 3388 Specdb::MsIr 3389 Specdb::NmrOneD 2199 Specdb::NmrOneD 2892 Specdb::NmrOneD 5067 Specdb::NmrOneD 5068 Specdb::NmrOneD 157550 Specdb::NmrOneD 157551 Specdb::NmrOneD 157552 Specdb::NmrOneD 157553 Specdb::NmrOneD 157554 Specdb::NmrOneD 157555 Specdb::NmrOneD 157556 Specdb::NmrOneD 157557 Specdb::NmrOneD 157558 Specdb::NmrOneD 157559 Specdb::NmrOneD 157560 Specdb::NmrOneD 157561 Specdb::NmrOneD 157562 Specdb::NmrOneD 157563 Specdb::NmrOneD 157564 Specdb::NmrOneD 157565 Specdb::NmrOneD 157566 Specdb::NmrOneD 157567 Specdb::NmrOneD 157568 Specdb::NmrOneD 157569 Specdb::CMs 2750 Specdb::CMs 27684 Specdb::CMs 29098 Specdb::CMs 29812 Specdb::CMs 41267 Specdb::CMs 100291 Specdb::CMs 100292 Specdb::CMs 100293 Specdb::CMs 146330 Specdb::MsMs 45876 Specdb::MsMs 45877 Specdb::MsMs 45878 Specdb::MsMs 168963 Specdb::MsMs 168964 Specdb::MsMs 168965 Specdb::MsMs 2711567 Specdb::MsMs 2711568 Specdb::MsMs 2711569 Specdb::MsMs 2997971 Specdb::MsMs 2997972 Specdb::MsMs 2997973 HMDB29306 49584 ETY Arabica coffee Type 1 specific Coffea arabica 13443 Beer Type 2 specific 0.0 0.0 0.0 mg/100 g Corn Type 1 specific Zea mays 4577 Milk (Cow) Type 2 specific Red raspberry Type 1 specific Rubus idaeus 32247 Red wine Type 2 325.325 650.0 0.65 mg/100 g alcohol castoreum guaiacol medicinal phenol phenolic smoke spice