1.0 2010-04-08 22:04:48 UTC 2019-11-26 02:55:49 UTC FDB001031 2,6-Diisopropyl-3-methylphenol Constituent of essential oils of Spanish oregano (Coridothymus capitatus) and Origanum subspecies 2,6-Diisopropyl-3-methylphenol is found in herbs and spices. 2,6-Diisopropyl-3-methyl-phenol 2,6-Diisopropyl-m-cresol 2,6-Diisopropyl-m-cresol, 8CI 3-Methyl-2,6-bis(1-methylethyl)phenol, 9CI Phenol, 2,6-diisopropyl-3-methyl- C13H20O 192.2973 192.151415262 3-methyl-2,6-bis(propan-2-yl)phenol 2,6-diisopropyl-3-methylphenol 28434-93-7 CC(C)C1=CC=C(C)C(C(C)C)=C1O InChI=1S/C13H20O/c1-8(2)11-7-6-10(5)12(9(3)4)13(11)14/h6-9,14H,1-5H3 KEGGEHPMMDYTGB-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-4-unsubstituted benzenoids Cumenes Hydrocarbon derivatives Meta cresols Monocyclic monoterpenoids Organooxygen compounds Phenylpropanes Toluenes 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Cumene Hydrocarbon derivative M-cresol Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-cymene Phenol Phenylpropane Toluene logp 4.15 ALOGPS logs -3.11 ALOGPS solubility 1.50e-01 g/l ALOGPS logp 4.67 ChemAxon pka_strongest_acidic 11.07 ChemAxon pka_strongest_basic -5 ChemAxon iupac 3-methyl-2,6-bis(propan-2-yl)phenol ChemAxon average_mass 192.2973 ChemAxon mono_mass 192.151415262 ChemAxon smiles CC(C)C1=CC=C(C)C(C(C)C)=C1O ChemAxon formula C13H20O ChemAxon inchi InChI=1S/C13H20O/c1-8(2)11-7-6-10(5)12(9(3)4)13(11)14/h6-9,14H,1-5H3 ChemAxon inchikey KEGGEHPMMDYTGB-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 61.46 ChemAxon polarizability 23.57 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3716 Specdb::MsIr 3717 Specdb::MsIr 3718 Specdb::CMs 18424 Specdb::CMs 41570 Specdb::CMs 171399 Specdb::MsMs 109320 Specdb::MsMs 109321 Specdb::MsMs 109322 Specdb::MsMs 176736 Specdb::MsMs 176737 Specdb::MsMs 176738 Specdb::MsMs 2750050 Specdb::MsMs 2750051 Specdb::MsMs 2750052 Specdb::MsMs 2928844 Specdb::MsMs 2928845 Specdb::MsMs 2928846 HMDB29820 #<Reference:0x000055ce32d0de68> Herbs and Spices Unknown generic