1.0 2010-04-08 22:06:15 UTC 2025-11-18 22:56:20 UTC FDB004444 Benzyl ethyl ketone Benzyl ethyl ketone, also known as 1-phenyl-2-butanone, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzyl ethyl ketone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Benzyl ethyl ketone can be found in tea, which makes benzyl ethyl ketone a potential biomarker for the consumption of this food product. 1-Phenyl-2-butanone 1-Phenylbutan-2-one 2-Butanone, 1-phenyl- Benzedrex hydrochloride Benzyl ethyl ketone C10H12O 148.2017 148.088815006 1-phenylbutan-2-one 1-phenyl-2-butanone 6192-95-6 CCC(=O)CC1=CC=CC=C1 InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 GKDLTXYXODKDEA-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Hydrocarbon derivatives Ketones Organic oxides Aromatic homomonocyclic compound Carbonyl group Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 2.21 ALOGPS logs -2.66 ALOGPS solubility 3.21e-01 g/l ALOGPS logp 2.64 ChemAxon pka_strongest_acidic 15.78 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 1-phenylbutan-2-one ChemAxon average_mass 148.2017 ChemAxon mono_mass 148.088815006 ChemAxon smiles CCC(=O)CC1=CC=CC=C1 ChemAxon formula C10H12O ChemAxon inchi InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 ChemAxon inchikey GKDLTXYXODKDEA-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 45.54 ChemAxon polarizability 16.84 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98304 Specdb::MsMs 98305 Specdb::MsMs 98306 Specdb::MsMs 163200 Specdb::MsMs 163201 Specdb::MsMs 163202 Specdb::MsMs 3600521 Specdb::MsMs 3600522 Specdb::MsMs 3600523 Specdb::MsMs 3600524 Specdb::MsMs 3600525 Specdb::MsMs 3600526 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442