1.02010-04-08 22:06:02 UTC2019-11-26 02:59:42 UTCFDB003965N-Pentyl benzenePentylbenzene 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-pentane1-PhenylpentaneAmylbenzeneBenzene, butylmethyl-Benzene, n-pentyl-Benzene, pentyl-Butyl tolueneButylmethylbenzeneN-amylbenzeneN-pentylbenzenePentane, 1-phenyl-PentylbenzenePhenethylguanidinePhenylpentaneC11H16148.2447148.125200512pentylbenzenepentylbenzene538-68-1CCCCCC1=CC=CC=C1InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3PWATWSYOIIXYMA-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 derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesAromatic homomonocyclic compoundsAromatic hydrocarbonsUnsaturated hydrocarbonsAromatic homomonocyclic compoundAromatic hydrocarbonHydrocarbonMonocyclic benzene moietyUnsaturated hydrocarbonliquidlogp4.81logs-4.79solubility2.38e-03 g/lmelting_point-75 oClogp4.26iupacpentylbenzeneaverage_mass148.2447mono_mass148.125200512smilesCCCCCC1=CC=CC=C1formulaC11H16inchiInChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3inchikeyPWATWSYOIIXYMA-UHFFFAOYSA-Npolar_surface_area0refractivity49.5polarizability19.1rotatable_bond_count4acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs2950Specdb::CMs29166Specdb::CMs30010Specdb::CMs102358Specdb::CMs102359Specdb::CMs171124Specdb::MsMs12389Specdb::MsMs12390Specdb::MsMs12391Specdb::MsMs19061Specdb::MsMs19062Specdb::MsMs19063Specdb::MsMs2721915Specdb::MsMs2721916Specdb::MsMs2721917Specdb::MsMs2959506Specdb::MsMs2959507Specdb::MsMs2959508CeleriacType 1specificApium graveolens var. rapaceum278110Celery stalksType 1specificApium graveolens var. dulce117781LovageType 1specificLevisticum officinale48042Wild celeryType 1specificApium graveolens404524.524.524.5mg/100 g