1.02010-04-08 22:11:28 UTC2019-11-26 03:10:46 UTCFDB0147962-Isopropyl-5-methylphenol acetate2-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 acetateAcetyl thymolAcetylthymolO-acetylthymolPhenol, 5-methyl-2-(1-methylethyl)-, 1-acetatePhenol, 5-methyl-2-(1-methylethyl)-, acetateThimyl acetateThymol acetateThymol, acetateThymyl acetateC12H16O2192.2542192.1150297565-methyl-2-(propan-2-yl)phenyl acetatethymyl acetate528-79-0CC(C)C1=CC=C(C)C=C1OC(C)=OInChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3WFMIUXMJJBBOGJ-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.Aromatic monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAromatic homomonocyclic compoundsCarbonyl compoundsCarboxylic acid estersCumenesHydrocarbon derivativesMonocarboxylic acids and derivativesMonocyclic monoterpenoidsOrganic oxidesPhenol estersPhenoxy compoundsPhenylpropanesToluenesAromatic homomonocyclic compoundAromatic monoterpenoidBenzenoidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCumeneHydrocarbon derivativeMonocarboxylic acid or derivativesMonocyclic benzene moietyMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-cymenePhenol esterPhenoxy compoundPhenylpropaneTolueneCyclic monoterpenesmonoterpenoidlogp3.57logs-3.77solubility3.30e-02 g/llogp3.34pka_strongest_basic-7.1iupac5-methyl-2-(propan-2-yl)phenyl acetateaverage_mass192.2542mono_mass192.115029756smilesCC(C)C1=CC=C(C)C=C1OC(C)=OformulaC12H16O2inchiInChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3inchikeyWFMIUXMJJBBOGJ-UHFFFAOYSA-Npolar_surface_area26.3refractivity56.42polarizability21.81rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs108453Specdb::MsMs108454Specdb::MsMs108455Specdb::MsMs175680Specdb::MsMs175681Specdb::MsMs175682Specdb::MsMs3605752Specdb::MsMs3605753Specdb::MsMs3605754Specdb::MsMs3605755Specdb::MsMs3605756Specdb::MsMs3605757Common thymeType 1specificThymus vulgaris49992Pot marjoramType 1specificOriganum onites4524160.010.010.01mg/100 ganti septic603A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.carminative774counterirritant839irritant1055pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.rubefacient1301