1.0 2010-04-08 22:09:10 UTC 2019-11-26 03:03:41 UTC FDB010516 2,5-Diisopropylphenol Occurs in Spanish origanum oil. 2,5-Diisopropylphenol is found in herbs and spices. 2,5-Bis(1-methylethyl)-phenol 2,5-Bis(1-methylethyl)phenol, 9CI P-dIIsopropylbenzene monoalc. Phenol, 2,5-bis(1-methylethyl)- C12H18O 178.2707 178.135765198 2,5-bis(propan-2-yl)phenol 2,5-diisopropylphenol 35946-91-9 CC(C)C1=CC(O)=C(C=C1)C(C)C InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3 VFNUNYPYULIJSN-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cumenes Hydrocarbon derivatives Monocyclic monoterpenoids Organooxygen compounds Phenylpropanes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Cumene Hydrocarbon derivative Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-cymene Phenol Phenylpropane logp 3.84 ALOGPS logs -2.98 ALOGPS solubility 1.89e-01 g/l ALOGPS melting_point Mp 95.5° logp 4.16 ChemAxon pka_strongest_acidic 10.55 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 2,5-bis(propan-2-yl)phenol ChemAxon average_mass 178.2707 ChemAxon mono_mass 178.135765198 ChemAxon smiles CC(C)C1=CC(O)=C(C=C1)C(C)C ChemAxon formula C12H18O ChemAxon inchi InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3 ChemAxon inchikey VFNUNYPYULIJSN-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 56.42 ChemAxon polarizability 21.77 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16143 Specdb::CMs 42857 Specdb::CMs 154217 Specdb::MsIr 5569 Specdb::MsIr 5570 Specdb::MsIr 5571 Specdb::MsMs 97200 Specdb::MsMs 97201 Specdb::MsMs 97202 Specdb::MsMs 161877 Specdb::MsMs 161878 Specdb::MsMs 161879 Specdb::MsMs 2846120 Specdb::MsMs 2846121 Specdb::MsMs 2846122 Specdb::MsMs 2863659 Specdb::MsMs 2863660 Specdb::MsMs 2863661 HMDB32579 #<Reference:0x00007f093c175e20> Herbs and Spices Unknown generic