1.0 2010-04-08 22:04:48 UTC 2019-11-26 02:55:49 UTC FDB001034 2,4-Diisopropyl-5-methylphenol Constituent of the essential oil of Coridothymus capitatus (Spanish oregano). 2,4-Diisopropyl-5-methylphenol is found in herbs and spices. 1-Hydroxy-2,4,5-trimethylbenzene 2,4,5-Trimethyl-phenol 2,4,5-Trimethylphenol 4,6-Diisopropyl-m-cresol 5-Hydroxypseudocumene 5-Methyl-2,4-bis(1-methylethyl)phenol, 9CI Glutamic acid gamma-semialdehyde Phenol, 2,4,5-trimethyl- Phenol, 5-methyl-2,4-diisopropyl Pseudocumenol C13H20O 192.2973 192.151415262 5-methyl-2,4-bis(propan-2-yl)phenol 2,4-diisopropyl-5-methylphenol 40625-96-5 CC(C)C1=CC(C(C)C)=C(O)C=C1C InChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3 NNSNIMZGXLISCO-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 Cumenes Hydrocarbon derivatives Meta cresols Monocyclic monoterpenoids Organooxygen compounds Phenylpropanes Toluenes 1-hydroxy-2-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 4.18 ALOGPS logs -3.17 ALOGPS solubility 1.30e-01 g/l ALOGPS logp 4.67 ChemAxon pka_strongest_acidic 10.85 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 5-methyl-2,4-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(O)C=C1C ChemAxon formula C13H20O ChemAxon inchi InChI=1S/C13H20O/c1-8(2)11-7-12(9(3)4)13(14)6-10(11)5/h6-9,14H,1-5H3 ChemAxon inchikey NNSNIMZGXLISCO-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 61.46 ChemAxon polarizability 23.62 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16950 Specdb::CMs 41573 Specdb::CMs 136971 Specdb::CMs 144705 Specdb::MsIr 3725 Specdb::MsIr 3726 Specdb::MsIr 3727 Specdb::MsMs 63087 Specdb::MsMs 63088 Specdb::MsMs 63089 Specdb::MsMs 119964 Specdb::MsMs 119965 Specdb::MsMs 119966 Specdb::MsMs 2438200 Specdb::MsMs 2438201 Specdb::MsMs 2438202 Specdb::MsMs 2528277 Specdb::MsMs 2528278 Specdb::MsMs 2528279 HMDB29823 #<Reference:0x000055ce315faf00> Herbs and Spices Unknown generic