1.0 2010-04-08 22:04:43 UTC 2019-11-26 02:55:29 UTC FDB000827 1-(1-Methoxy-1-methylethyl)-4-methylbenzene Isolated 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-methylbenzene 8-Methoxy-p-cymene 8-Methoxy-p-mentha-1,3,5-triene C11H16O 164.2441 164.120115134 1-(2-methoxypropan-2-yl)-4-methylbenzene 1-(2-methoxypropan-2-yl)-4-methylbenzene COC(C)(C)C1=CC=C(C)C=C1 InChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3 YCCVSCJOXISVEI-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Phenylpropanes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Aromatic homomonocyclic compounds Benzylethers Dialkyl ethers Hydrocarbon derivatives Toluenes Aromatic homomonocyclic compound Benzylether Dialkyl ether Ether Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenylpropane Toluene logp 3.51 ALOGPS logs -3.81 ALOGPS solubility 2.57e-02 g/l ALOGPS logp 3.06 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 1-(2-methoxypropan-2-yl)-4-methylbenzene ChemAxon average_mass 164.2441 ChemAxon mono_mass 164.120115134 ChemAxon smiles COC(C)(C)C1=CC=C(C)C=C1 ChemAxon formula C11H16O ChemAxon inchi InChI=1S/C11H16O/c1-9-5-7-10(8-6-9)11(2,3)12-4/h5-8H,1-4H3 ChemAxon inchikey YCCVSCJOXISVEI-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 51.72 ChemAxon polarizability 19.69 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18881 Specdb::CMs 164234 Specdb::MsIr 3545 Specdb::MsMs 47433 Specdb::MsMs 47434 Specdb::MsMs 47435 Specdb::MsMs 161073 Specdb::MsMs 161074 Specdb::MsMs 161075 Specdb::MsMs 2298406 Specdb::MsMs 2298407 Specdb::MsMs 2298408 Specdb::MsMs 2637301 Specdb::MsMs 2637302 Specdb::MsMs 2637303 HMDB29653 #<Reference:0x000055ce32512da8> Citrus Unknown generic Pepper (Spice) Type 1 specific Piper nigrum 13216