1.0 2010-04-08 22:11:28 UTC 2019-11-26 03:10:46 UTC FDB014796 2-Isopropyl-5-methylphenol acetate 2-isopropyl-5-methylphenol acetate is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. 2-isopropyl-5-methylphenol acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-isopropyl-5-methylphenol acetate can be found in common thyme and pot marjoram, which makes 2-isopropyl-5-methylphenol acetate a potential biomarker for the consumption of these food products. 2-Isopropyl-5-methylphenyl acetate Acetyl thymol Acetylthymol O-acetylthymol Phenol, 5-methyl-2-(1-methylethyl)-, 1-acetate Phenol, 5-methyl-2-(1-methylethyl)-, acetate Thimyl acetate Thymol acetate Thymol, acetate Thymyl acetate C12H16O2 192.2542 192.115029756 5-methyl-2-(propan-2-yl)phenyl acetate thymyl acetate 528-79-0 CC(C)C1=CC=C(C)C=C1OC(C)=O InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3 WFMIUXMJJBBOGJ-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 Carbonyl compounds Carboxylic acid esters Cumenes Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Phenol esters Phenoxy compounds Phenylpropanes Toluenes Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cumene Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-cymene Phenol ester Phenoxy compound Phenylpropane Toluene Cyclic monoterpenes monoterpenoid logp 3.57 ALOGPS logs -3.77 ALOGPS solubility 3.30e-02 g/l ALOGPS logp 3.34 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 5-methyl-2-(propan-2-yl)phenyl acetate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CC(C)C1=CC=C(C)C=C1OC(C)=O ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3 ChemAxon inchikey WFMIUXMJJBBOGJ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.42 ChemAxon polarizability 21.81 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108453 Specdb::MsMs 108454 Specdb::MsMs 108455 Specdb::MsMs 175680 Specdb::MsMs 175681 Specdb::MsMs 175682 Specdb::MsMs 3605752 Specdb::MsMs 3605753 Specdb::MsMs 3605754 Specdb::MsMs 3605755 Specdb::MsMs 3605756 Specdb::MsMs 3605757 Common thyme Type 1 specific Thymus vulgaris 49992 Pot marjoram Type 1 specific Origanum onites 452416 0.01 0.01 0.01 mg/100 g anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. carminative 774 counterirritant 839 irritant 1055 pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. rubefacient 1301