1.0 2016-05-26 05:18:58 UTC 2026-08-17 23:47:04 UTC 4-Phenylbutanoic acid SmallMolecule 4-Phenylbutanoic acid (C10H12O2) is an organic compound with an average molecular weight of 164.20 g/mol. 4-Phenylbutanoic acid belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound is found in or released from 23 recorded sources across several sectors. Within healthcare, pharmaceuticals, and veterinary products, it is associated with unclassified nervous system drugs and alimentary tract and metabolism products. In the food, food processing, and cookware sector, it is linked to the preparation of vinegar, the preparation of wine or sparkling wine, fermentation processes for beer, the preparation of wort, and food preservation. Recorded sources in household cleaning and consumer products include bleaching agents, perfumes within detergents and soaps, cigar cigarettes, non-electric simulated smoking devices, and pipe accessories. Additionally, it is found in building and construction materials such as stairs and ramps, and in electrical and electronic equipment including antennas, conductors or conductive bodies characterised by the conductive materials, electrodes, emergency protective devices, and electrically stimulated smoking devices. The recorded route of exposure for this compound is oral. At the molecular level, 4-phenylbutanoic acid interacts with 11 recorded protein targets. It acts as a binder, inhibitor, or modulator of histone deacetylase 1 (HDAC1), histone deacetylase 3 (HDAC3), histone deacetylase 4 (HDAC4), and aromatic-amino-acid aminotransferase (tyrB), among 7 other proteins. C10H12O2 164.2011 164.083729628 4-phenylbutanoic acid 4-phenylbutyric acid 1821-12-1 OC(=O)CCCC1=CC=CC=C1 InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) OBKXEAXTFZPCHS-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Aromatic homomonocyclic compounds monocarboxylic acid Detected and Not Quantified logp 2.5 logp 2.29 ALOGPS logs -2.51 ALOGPS solubility 5.13e-01 g/l ALOGPS logp 2.5 ChemAxon pka_strongest_acidic 4.81 ChemAxon iupac 4-phenylbutanoic acid ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles OC(=O)CCCC1=CC=CC=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) ChemAxon inchikey OBKXEAXTFZPCHS-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 46.57 ChemAxon polarizability 17.99 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72274f7950> DB06819 4775 4611 BE0001389 BE0002367 BE0003523 BE0002365 BE0003525 BE0002366 BE0008667 BE0001608 BE0002368 BE0000881 BE0001132