1.0 2010-04-08 22:06:02 UTC 2025-11-18 22:54:30 UTC FDB003965 N-Pentyl benzene Pentylbenzene belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Pentylbenzene can be found in lovage and wild celery, which makes pentylbenzene a potential biomarker for the consumption of these food products. Pentylbenzene exists in all eukaryotes, ranging from yeast to humans. 1-Phenyl-n-pentane 1-Phenylpentane Amylbenzene Benzene, butylmethyl- Benzene, n-pentyl- Benzene, pentyl- Butyl toluene Butylmethylbenzene N-amylbenzene N-pentylbenzene Pentane, 1-phenyl- Pentylbenzene Phenethylguanidine Phenylpentane C11H16 148.2447 148.125200512 pentylbenzene pentylbenzene 538-68-1 CCCCCC1=CC=CC=C1 InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3 PWATWSYOIIXYMA-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 Aromatic hydrocarbons Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Hydrocarbon Monocyclic benzene moiety Unsaturated hydrocarbon liquid logp 4.81 ALOGPS logs -4.79 ALOGPS solubility 2.38e-03 g/l ALOGPS melting_point -75 oC logp 4.26 ChemAxon iupac pentylbenzene ChemAxon average_mass 148.2447 ChemAxon mono_mass 148.125200512 ChemAxon smiles CCCCCC1=CC=CC=C1 ChemAxon formula C11H16 ChemAxon inchi InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3 ChemAxon inchikey PWATWSYOIIXYMA-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 49.5 ChemAxon polarizability 19.1 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2950 Specdb::CMs 29166 Specdb::CMs 30010 Specdb::CMs 102358 Specdb::CMs 102359 Specdb::CMs 171124 Specdb::MsMs 12389 Specdb::MsMs 12390 Specdb::MsMs 12391 Specdb::MsMs 19061 Specdb::MsMs 19062 Specdb::MsMs 19063 Specdb::MsMs 2721915 Specdb::MsMs 2721916 Specdb::MsMs 2721917 Specdb::MsMs 2959506 Specdb::MsMs 2959507 Specdb::MsMs 2959508 HMDB0059834 Celeriac Type 1 specific Apium graveolens var. rapaceum 278110 Celery stalks Type 1 specific Apium graveolens var. dulce 117781 Lovage Type 1 specific Levisticum officinale 48042 Wild celery Type 1 specific Apium graveolens 4045 24.5 24.5 24.5 mg/100 g