1.0 2010-04-08 22:13:05 UTC 2025-11-19 01:54:09 UTC FDB017419 2-(2-Hydroxy-4-methylphenyl)-3-pentanone Constituent of peppermint oil. 2-(2-Hydroxy-4-methylphenyl)-3-pentanone is found in herbs and spices. C12H16O2 192.2542 192.115029756 2-(2-hydroxy-4-methylphenyl)pentan-3-one 2-(2-hydroxy-4-methylphenyl)pentan-3-one 86843-15-4 CCC(=O)C(C)C1=C(O)C=C(C)C=C1 InChI=1S/C12H16O2/c1-4-11(13)9(3)10-6-5-8(2)7-12(10)14/h5-7,9,14H,4H2,1-3H3 XKKGHYTULRMGQQ-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 Hydrocarbon derivatives Ketones Meta cresols Monocyclic monoterpenoids Organic oxides Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Hydrocarbon derivative Ketone M-cresol Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-cymene Phenol Toluene logp 3.08 ALOGPS logs -2.73 ALOGPS solubility 3.56e-01 g/l ALOGPS melting_point Mp 71-72° logp 3.39 ChemAxon pka_strongest_acidic 9.39 ChemAxon pka_strongest_basic -6 ChemAxon iupac 2-(2-hydroxy-4-methylphenyl)pentan-3-one ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CCC(=O)C(C)C1=C(O)C=C(C)C=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-4-11(13)9(3)10-6-5-8(2)7-12(10)14/h5-7,9,14H,4H2,1-3H3 ChemAxon inchikey XKKGHYTULRMGQQ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 57.14 ChemAxon polarizability 21.81 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7831 Specdb::MsIr 7832 Specdb::MsIr 7833 Specdb::CMs 15891 Specdb::CMs 45716 Specdb::CMs 135147 Specdb::CMs 142881 Specdb::MsMs 78456 Specdb::MsMs 78457 Specdb::MsMs 78458 Specdb::MsMs 138804 Specdb::MsMs 138805 Specdb::MsMs 138806 Specdb::MsMs 2793263 Specdb::MsMs 2793264 Specdb::MsMs 2793265 Specdb::MsMs 2916482 Specdb::MsMs 2916483 Specdb::MsMs 2916484 HMDB38180 #<Reference:0x000055ce306695c8> Herbs and Spices Unknown generic