1.0 2016-09-30 23:18:46 UTC 2020-06-04 18:58:14 UTC BMDB0005805 BMDB05805 p-Cymene p-Cymene, also known as p-methylcumene or p-cymol, belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Thus, p-cymene is considered to be an isoprenoid lipid molecule. p-Cymene exists as a solid, very hydrophobic, practically insoluble (in water), and relatively neutral molecule. p-Cymene exists in all living species, ranging from bacteria to humans. p-Cymene is a potentially toxic compound. 1-Isopropyl-4-methylbenzene 1-Methyl-4-(1-methylethyl)benzene 1-Methyl-4-(propan-2-yl)benzene 1-Methyl-4-isopropylbenzene 4-Cymene 4-Isopropyl-1-methylbenzene 4-Isopropyltoluene 4-Methyl-1-isopropylbenzene Cymene Isopropyltoluene p-Cimene p-Cymol p-Isopropyltoluene p-Methylcumene p-Methylisopropylbenzene Para-cymene 1-Isopropyl-4-methyl-benzene 1-Methyl-4-(1-methylethyl)-benzene 2-p-Tolylpropane 4-Isopropylbenzyl radical 4-Methyl-1-(propan-2-yl)benzene Camphogen Cymol Dolcymene P- Isopropylmethylbenzene P-Mentha-1,3,5-triene P-Methyl cumene P-Methyl-cumene Paracymene Paracymol 4-Methylisopropylbenzene C10H14 134.222 134.109550451 1-methyl-4-(propan-2-yl)benzene cymene 99-87-6 CC(C)C1=CC=C(C)C=C1 InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 HFPZCAJZSCWRBC-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic monoterpenoids Aromatic hydrocarbons Cumenes Monocyclic monoterpenoids Phenylpropanes Toluenes Unsaturated hydrocarbons Aromatic homomonocyclic compound Aromatic hydrocarbon Aromatic monoterpenoid Benzenoid Cumene Hydrocarbon Monocyclic benzene moiety Monocyclic monoterpenoid P-cymene Phenylpropane Toluene Unsaturated hydrocarbon Aromatic homomonocyclic compounds Cyclic monoterpenes Menthane monoterpenoids Menthane monoterpenoids a monoterpenoid monoterpene toluenes Liquid melting_point -68.9 °C water_solubility 0.0234 mg/mL at 25 °C logp 4.1 HANSCH,C ET AL. (1995) logp 4.17 ALOGPS logs -3.90 ALOGPS logp 3.73 ChemAxon iupac 1-methyl-4-(propan-2-yl)benzene ChemAxon average_mass 134.222 ChemAxon mono_mass 134.109550451 ChemAxon smiles CC(C)C1=CC=C(C)C=C1 ChemAxon formula C10H14 ChemAxon inchi InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 ChemAxon inchikey HFPZCAJZSCWRBC-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 45.29 ChemAxon polarizability 17 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 3442 Specdb::NmrOneD 5119 Specdb::NmrOneD 5120 Specdb::MsMs 44229 Specdb::MsMs 44230 Specdb::MsMs 44231 Specdb::MsMs 136806 Specdb::MsMs 136807 Specdb::MsMs 136808 Specdb::MsMs 2668861 Specdb::MsMs 2668862 Specdb::MsMs 2668863 Specdb::MsMs 3013811 Specdb::MsMs 3013812 Specdb::MsMs 3013813 Specdb::EiMs 747 Specdb::CMs 3369 Specdb::CMs 27063 Specdb::CMs 28699 Specdb::CMs 28812 Specdb::CMs 30006 Specdb::CMs 99880 Specdb::CMs 99881 Specdb::CMs 99882 Specdb::CMs 99883 Specdb::CMs 173179 Milk 0.000537 +/- 0.000767 uM In raw milk samples for diets based on maize silage Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Milk 0.000767 +/- 0.000998 uM In raw milk samples for diets based on hay Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694 Muscle Samples have been collected from Heifer cows. Osorio MT, Downey G, Moloney AP, Rohrle FT, Luciano G, Schmidt O, Monahan FJ: Beef authentication using dietary markers: chemometric selection and modelling of significant beef biomarkers using concatenated data from multiple analytical methods. Food Chem. 2013 Dec 1;141(3):2795-801. doi: 10.1016/j.foodchem.2013.05.118. Epub 2013 Jun 5. 23871026 FDB017358 7183 C00003040 7463 C06575 28768 CPD-1001 P-cymene Fevre, Catherine G. Le; Fevre, Raymond J. W. Le; Robertson, Kathleen W. Dipole moments of p-cymene, 2- and 3-halogeno-pcymenes, carvacrol and thymol, p-ethyltoluene, p-tert-butyltoluene, 1,3-dimethyl-5-tert-butylbenzene, tert-butyl-benzene and its p-nitro Toso B, Procida G, Stefanon B: Determination of volatile compounds in cows' milk using headspace GC-MS. J Dairy Res. 2002 Nov;69(4):569-77. 12463694