1.0 2010-04-08 22:07:33 UTC 2025-11-18 23:04:37 UTC FDB007331 Thymunic acid Thymol, also known as 3-p-cymenol, belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-eritritol-phosphate (MEP) pathway in the plastids. Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. In a 1994 report released by five top cigarette companies, thymol is one of the 599 additives to cigarettes. Thymol is a very hydrophobic molecule, practically insoluble in water, but fairly soluble in organic solvents. Thus, thymol is considered to be an isoprenoid lipid molecule. Thymol is found in the essential oil of thyme and in the essential oils of several different plants. It can be extracted from Thymus vulgaris (common thyme), Ajwain and various other kinds of plants as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. Thymol also provides the distinctive, strong flavor of the culinary herb thyme, also produced from T. vulgaris. C10H14O 150.221 150.104465071 5-methyl-2-(propan-2-yl)phenol thymol 89-83-8 CC(C)C1=C(O)C=C(C)C=C1 InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 MGSRCZKZVOBKFT-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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cumenes Hydrocarbon derivatives Meta cresols Monocyclic monoterpenoids Organooxygen compounds Phenylpropanes Toluenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Cumene Hydrocarbon derivative M-cresol Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-cymene Phenol Phenylpropane Toluene Cyclic monoterpenes Menthane monoterpenoids Menthane monoterpenoids monoterpenoid phenols logp 3.16 ALOGPS logs -2.37 ALOGPS solubility 6.43e-01 g/l ALOGPS logp 3.43 ChemAxon pka_strongest_acidic 10.59 ChemAxon pka_strongest_basic -5.2 ChemAxon iupac 5-methyl-2-(propan-2-yl)phenol ChemAxon average_mass 150.221 ChemAxon mono_mass 150.104465071 ChemAxon smiles CC(C)C1=C(O)C=C(C)C=C1 ChemAxon formula C10H14O ChemAxon inchi InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3 ChemAxon inchikey MGSRCZKZVOBKFT-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 47.27 ChemAxon polarizability 17.84 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1426 Specdb::MsIr 1427 Specdb::MsIr 1428 Specdb::NmrOneD 1775 Specdb::NmrOneD 4282 Specdb::NmrTwoD 1715 Specdb::CMs 2888 Specdb::CMs 26893 Specdb::CMs 27700 Specdb::CMs 29095 Specdb::CMs 29771 Specdb::CMs 32332 Specdb::CMs 38165 Specdb::CMs 99721 Specdb::CMs 99722 Specdb::CMs 99723 Specdb::CMs 99724 Specdb::CMs 99725 Specdb::CMs 134796 Specdb::CMs 142530 Specdb::EiMs 1877 Specdb::MsMs 1774 Specdb::MsMs 1775 Specdb::MsMs 1776 Specdb::MsMs 5540 Specdb::MsMs 5541 Specdb::MsMs 5542 Specdb::MsMs 179055 Specdb::MsMs 179056 Specdb::MsMs 179057 Specdb::MsMs 181380 Specdb::MsMs 181381 Specdb::MsMs 181382 Specdb::MsMs 1471212 Specdb::MsMs 1471213 Specdb::MsMs 1471214 Specdb::MsMs 1471983 Specdb::MsMs 1471984 Specdb::MsMs 2226386 Specdb::MsMs 2228312 Specdb::MsMs 2228825 Specdb::MsMs 2230639 Specdb::MsMs 2231110 Specdb::MsMs 2233073 Specdb::MsMs 2359107 Specdb::MsMs 2359108 HMDB0001878 Common oregano Type 1 specific Origanum vulgare 39352 Common thyme Type 1 specific Thymus vulgaris 49992