1.0 2010-04-08 22:11:28 UTC 2019-11-26 03:10:46 UTC FDB014795 2-Isopropyl-5-methylphenol Found in many essential oils. Especies found in the Labiatae. Rich sources are thyme oil, seed oil of Ptychotis ajowan and oils of horsemint (Monarda punctata) and Ocimum subspecies Flavouring ingredient A phenol obtained from thyme oil or other volatile oils. It is used as a stabilizer in pharmaceutic preparations. It has been used for its antiseptic, antibacterial, and antifungal actions, and was formerly used as a vermifuge. (Dorland, 28th ed) -- Pubchem; In a 1994 report released by five top cigarette companies, thymol is one of the 599 additives to cigarettes. Its use or purpose, however, is unknown, like most cigarette additives. -- Wikipedia; In a 1994 report released by five top cigarette companies, thymol was listed as one of 599 additives to cigarettes. It is said to be added to improve the flavor of cigarettes, but as mentioned above, it relaxes the trachea.; Thymol (also known as 2-isopropyl-5-methylphenol), (IPMP) is a monoterpene phenol derivative of cymene, C10H14O, isomeric with carvacrol, found in oil of thyme, and extracted as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. Thymol is only slightly soluble in water, but it is extremely soluble in alcohols and other organic solvents. It is also called "Isopropyl-m-cresol" and "hydroxy cymene".; Thymol is a monoterpene phenol derivative of cymene, C10H13OH, isomeric with carvacrol, found in oil of thyme, and extracted as a white crystalline substance of a pleasant aromatic odor and strong antiseptic properties. It is also called "hydroxy cymene". (from Webster's 1913 dictionary) -- Wikipedia 1-Hydroxy-5-methyl-2-isopropylbenzene 1-Methyl-3-hydroxy-4-isopropylbenzene 2-Hydroxy-1-isopropyl-4-methylbenzene 2-Isopropyl-5-methylphenol (thymol) 3-Hydroxy-1-methyl-4-isopropylbenzene 3-Hydroxy-4-isopropyltoluene 3-Hydroxy-p-cymene 3-Methyl-6-isopropylphenol 3-p-Cymenol 5-Methyl-2-(1-methylethyl)phenol 5-Methyl-2-(1-methylethyl)phenol, 9CI 5-methyl-2-(propan-2-yl)phenol 5-Methyl-2-isopropyl-1-phenol 5-Methyl-2-isopropylphenol 5-methyl-2-propan-2-ylphenol 6-Isopropyl-3-methylphenol 6-Isopropyl-m-cresol 6-Isopropyl-p-cresol Apiguard BENZENE,2-HYDROXY,1-ISOPROPYL,4-METHYL THYMOL Cymophenol, alpha- FEMA 3066 IPB Isopropyl cresol Isopropyl-m-cresol m-Cresol, 6-isopropyl- m-Thymol p-Cymen-3-ol p-Cymen-3-ol, 8CI p-Cymene, 3-hydroxy- p-Mentha-1,3,5-trien-3-ol Phenol, 2-isopropyl-5-methyl- Phenol, 5-methyl-2-(1-methylethyl)- Swarm brand of thymol Thymate Thyme camphor Thymianic acid (obsol.) Thymianic camphor (obsol.) Thymic acid Thymol Thymol (JP15/NF) Thymol (TN) Thymol [usan:jan] Thymol crystal puriss Thymol swarm brand 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 Solid logp 3.16 ALOGPS logs -2.37 ALOGPS solubility 6.43e-01 g/l ALOGPS melting_point Mp 51.5° 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::NmrTwoD 1715 Specdb::EiMs 1877 Specdb::NmrOneD 1775 Specdb::NmrOneD 4282 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::MsIr 1426 Specdb::MsIr 1427 Specdb::MsIr 1428 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 HMDB01878 27607 IPB #<Reference:0x000055ce31c78fd0> #<Reference:0x000055ce31c78e18> #<Reference:0x000055ce31c78b98> #<Reference:0x000055ce31c789e0> #<Reference:0x000055ce31c78828> #<Reference:0x000055ce31c785d0> #<Reference:0x000055ce31c78418> #<Reference:0x000055ce31c78210> #<Reference:0x000055ce31c78008> #<Reference:0x000055ce31c77ef0> Anise Type 1 specific Pimpinella anisum 271192 Black tea Type 1 Black walnut Type 1 specific Juglans nigra 16719 1400.0 1400.0 1400.0 mg/100 g Blackberry Type 1 specific Rubus Caraway Type 1 specific Carum carvi 48032 0.0 0.0 0.0 mg/100 g Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 0.0 0.0 0.0 mg/100 g Cloves Type 1 specific Syzygium aromaticum 219868 0.0 0.0 0.0 mg/100 g Common oregano Type 1 specific Origanum vulgare 39352 250.0 250.0 250.0 mg/100 g Common sage Type 1 specific Salvia officinalis 38868 Common thyme Type 1 specific Thymus vulgaris 49992 1205.75 1205.75 1205.75 mg/100 g Coriander Type 1 specific Coriandrum sativum 4047 Corn Type 1 specific Zea mays 4577 Cumin Type 1 specific Cuminum cyminum 52462 0.0 0.0 0.0 mg/100 g Dill Type 1 specific Anethum graveolens 40922 Evergreen blackberry Type 1 specific Rubus laciniatus Ginger Type 1 specific Zingiber officinale 94328 0.0 0.0 0.0 mg/100 g Ginkgo nuts Type 1 specific Ginkgo biloba 3311 Green tea Type 1 Herbal tea Type 1 Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 Hyssop Type 1 specific Hyssopus officinalis 39324 0.25 0.25 0.25 mg/100 g Lemon Type 1 specific Citrus limon 2708 Lemon balm Type 1 specific Melissa officinalis 39338 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 1.05 1.05 1.05 mg/100 g Mexican oregano Type 1 specific Lippia graveolens Milk (Cow) Type 2 specific Nutmeg Type 1 specific Myristica fragrans 51089 0.0 0.0 0.0 mg/100 g Parsley Type 1 specific Petroselinum crispum 4043 Pepper (Spice) Type 1 specific Piper nigrum 13216 0.0 0.0 0.0 mg/100 g Peppermint Type 1 specific Mentha X piperita 34256 Pot marjoram Type 1 specific Origanum onites 452416 12.175 15.75 8.6 mg/100 g Rabbiteye blueberry Type 1 specific Vaccinium virgatum Red tea Type 1 Rosemary Type 1 specific Rosmarinus officinalis 39367 Spearmint Type 1 specific Mentha spicata 29719 0.8 0.8 0.8 mg/100 g Star anise Type 1 specific Illicium verum 124778 0.0 0.0 0.0 mg/100 g Summer savory Type 1 specific Satureja hortensis 49987 Sweet basil Type 1 specific Ocimum basilicum 39350 141.5 141.5 141.5 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 0.0 0.0 0.0 mg/100 g Sweet marjoram Type 1 specific Origanum majorana 268884 Sweet orange Type 1 specific Citrus sinensis 2711 Tea Type 1 specific Camellia sinensis 4442 Wild celery Type 1 specific Apium graveolens 4045 Winter savory Type 1 specific Satureja montana 49988 701.75 701.75 701.75 mg/100 g camphor herbal medicinal phenolic thyme Acaricide 16 A substance used to destroy pests of the subclass Acari (mites and ticks). Allergenic 43 A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. Analgesic 56 An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. Ancylostomicide 59 Anesthetic 62 Ankylostomacide 66 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti bacterial 145 A substance that kills or slows the growth of bacteria. Anti cariogenic 165 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti cholinesterase 184 An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8). Anti halitosic 314 Anti neuritic 472 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti periodontic 515 Anti radicular 572 Anti septic 603 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-acne 78 A drug used to treat or prevent skin disorders or for the routine care of skin. Anti-aggregant 94 Anti-Alzheimeran 105 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-arthritic 131 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-atherosclerotic 138 A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. Anti-bronchitic 154 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-helmintic 72 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-herpetic 329 A substance that destroys or inhibits replication of viruses. Anti-inflammatory 370 A substance that reduces or suppresses inflammation. Anti-lepric 389 A substance that kills or slows the growth of bacteria. Anti-melanomic 425 A substance that inhibits or prevents the proliferation of neoplasms. Anti-oxidant 502 A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. In European countries, E-numbers for permitted antioxidant food additives are from E 300 to E 324. Anti-plaque 531 Anti-rheumatic 585 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-salmonella 591 A substance that kills or slows the growth of bacteria. Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Anti-staphylococcic 627 A substance that kills or slows the growth of bacteria. Anti-streptococcic 631 A substance that kills or slows the growth of bacteria. Anti-trichinosic 667 A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. Anti-tussive 674 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Ataxigenic 714 Candidicide 756 Carminative 774 Counterirritant 839 Culicide 843 Cyclooxygenase inhibitor 849 A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. Dentifrice 869 Deodorant 870 Dermatitigenic 875 Enterorelaxant 908 Enterotoxic 909 A role played by the molecular entity or part thereof which causes the development of a pathological process. Expectorant 925 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Fungicide 940 A substance used to destroy fungal pests. Gastroirritant 946 Gram(-)icide 963 A substance that kills or slows the growth of bacteria. Gram(+)icide 962 A substance that kills or slows the growth of bacteria. Insecticide 1040 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Insectifuge 1041 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Irritant 1055 Larvicide 1063 Molluscicide 1113 A substance used to destroy pests of the phylum Mollusca. Myorelaxant 1134 Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Nematicide 1141 A substance used to destroy pests of the phylum Nematoda (roundworms). Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. Sprout inhibitor 1326 A substance that diminishes the rate of a chemical reaction. Tracheorelaxant 1372 Trichomonicide 1379 Urinary antiseptic 1398 Varroacide 1410 Vermicide 1421