1.02010-04-08 22:04:43 UTC2019-11-26 02:55:29 UTCFDB0008271-(1-Methoxy-1-methylethyl)-4-methylbenzeneIsolated from lime (Citrus aurantifolia) oil. 1-(1-Methoxy-1-methylethyl)-4-methylbenzene is found in citrus and pepper (spice).1-(1-Methoxy-1-methylethyl)-4-methylbenzene8-Methoxy-p-cymene8-Methoxy-p-mentha-1,3,5-trieneC11H16O164.2441164.1201151341-(2-methoxypropan-2-yl)-4-methylbenzene1-(2-methoxypropan-2-yl)-4-methylbenzeneCOC(C)(C)C1=CC=C(C)C=C1InChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3YCCVSCJOXISVEI-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.PhenylpropanesOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylpropanesAromatic homomonocyclic compoundsBenzylethersDialkyl ethersHydrocarbon derivativesToluenesAromatic homomonocyclic compoundBenzyletherDialkyl etherEtherHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundPhenylpropaneToluenelogp3.51logs-3.81solubility2.57e-02 g/llogp3.06pka_strongest_basic-4.2iupac1-(2-methoxypropan-2-yl)-4-methylbenzeneaverage_mass164.2441mono_mass164.120115134smilesCOC(C)(C)C1=CC=C(C)C=C1formulaC11H16OinchiInChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3inchikeyYCCVSCJOXISVEI-UHFFFAOYSA-Npolar_surface_area9.23refractivity51.72polarizability19.69rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr3545Specdb::CMs18881Specdb::CMs164234Specdb::MsMs47433Specdb::MsMs47434Specdb::MsMs47435Specdb::MsMs161073Specdb::MsMs161074Specdb::MsMs161075Specdb::MsMs2298406Specdb::MsMs2298407Specdb::MsMs2298408Specdb::MsMs2637301Specdb::MsMs2637302Specdb::MsMs2637303HMDB29653#<Reference:0x0000555675612eb8>CitrusUnknowngenericPepper (Spice)Type 1specificPiper nigrum13216