1.0 2010-04-08 22:11:28 UTC 2019-11-26 03:10:46 UTC FDB014797 Thymol methyl ether Naturally occurring, e.g. in oil of sea fennel (Crithmum maritimum) and Citrus subspecies Thymol methyl ether is found in many foods, some of which are lime, sweet basil, pot marjoram, and herbs and spices. 1-Isopropyl-2-methoxy-4-methylbenzene 1-Methyl-3-methoxy-4-isopropylbenzene 2-Isopropyl-5-methyl-anisole 2-Isopropyl-5-methylanisole 2-Methoxy-4-methyl-1-(1-methylethyl)-benzene 2-Methoxy-4-methyl-1-(1-methylethyl)benzene 3-Methoxy-p-cymene 4-Isopropyl-3-methoxytoluene 4-methoxyphenylglyoxal Anisole, 2-isopropyl-5-methyl- Benzene, 2-methoxy-4-methyl-1-(1-methylethyl)- Methyl thymol ether Methyl THYMYL ether Methyl THYMYL oxide Methylthymol Methylthymol, o- O-methylthymol Thymol me ether Thymol methyl Thymol methyl ether Thymol methyl ether (= methyl thymol) Thymyl methyl ether THYMYL methyl oxide C11H16O 164.2441 164.120115134 2-methoxy-4-methyl-1-(propan-2-yl)benzene 1-isopropyl-2-methoxy-4-methylbenzene 1076-56-8 COC1=C(C=CC(C)=C1)C(C)C InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3 LSQXNMXDFRRDSJ-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 Alkyl aryl ethers Anisoles Cumenes Hydrocarbon derivatives Methoxybenzenes Monocyclic monoterpenoids Phenoxy compounds Phenylpropanes Toluenes Alkyl aryl ether Anisole Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Cumene Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-cymene Phenol ether Phenoxy compound Phenylpropane Toluene logp 4.09 ALOGPS logs -3.66 ALOGPS solubility 3.64e-02 g/l ALOGPS logp 3.57 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 2-methoxy-4-methyl-1-(propan-2-yl)benzene ChemAxon average_mass 164.2441 ChemAxon mono_mass 164.120115134 ChemAxon smiles COC1=C(C=CC(C)=C1)C(C)C ChemAxon formula C11H16O ChemAxon inchi InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h5-8H,1-4H3 ChemAxon inchikey LSQXNMXDFRRDSJ-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 51.75 ChemAxon polarizability 19.8 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21796 Specdb::CMs 155075 Specdb::MsIr 7049 Specdb::MsIr 7050 Specdb::MsMs 64389 Specdb::MsMs 64390 Specdb::MsMs 64391 Specdb::MsMs 121530 Specdb::MsMs 121531 Specdb::MsMs 121532 Specdb::MsMs 2673550 Specdb::MsMs 2673551 Specdb::MsMs 2673552 Specdb::MsMs 3031622 Specdb::MsMs 3031623 Specdb::MsMs 3031624 HMDB35989 #<Reference:0x000055ce32326210> Carrot Type 1 specific Daucus carota ssp. sativus 79200 Citrus Unknown generic Common oregano Type 1 specific Origanum vulgare 39352 3.6 3.6 3.6 mg/100 g Common thyme Type 1 specific Thymus vulgaris 49992 500.05 500.05 500.05 mg/100 g Herbs and Spices Unknown generic Lime Type 1 specific Citrus aurantiifolia 159033 0.2 0.2 0.2 mg/100 g Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 1.0 1.0 1.0 mg/100 g Pot marjoram Type 1 specific Origanum onites 452416 0.0 0.0 0.0 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 0.02 0.02 0.02 mg/100 g burnt smoky woody