Explore a selection of our essential drug information below, or:
Identification
- Summary
Thymol is an essential oil found in various over-the-counter antibacterial and antifungal products.
- Brand Names
- Listerine Antiseptic
- Generic Name
- Thymol
- DrugBank Accession Number
- DB02513
- Background
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)
- Type
- Small Molecule
- Groups
- Approved
- Structure
Structure for Thymol (DB02513)
- Weight
- Average: 150.2176
Monoisotopic: 150.10446507 - Chemical Formula
- C10H14O
- Synonyms
- 2-isopropyl-5-methylphenol
- 5-Methyl-2-(1-Methylethyl)Phenol
- IPMP
- External IDs
- FEMA NO. 3066
- NSC-11215
- NSC-47821
- NSC-49142
Pharmacology
- Indication
Not Available
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Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Used in combination for symptomatic treatment of Arthritis Combination Product in combination with: Camphor (DB01744), Levomenthol (DB00825) ••• ••• •••••••• Used in combination to treat Backache Combination Product in combination with: Camphor (DB01744), Levomenthol (DB00825) ••• ••• •••••••• Used in combination to treat Backache Combination Product in combination with: Camphor (DB01744), Levomenthol (DB00825), Methyl salicylate (DB09543) ••• ••• ••••••• Used in combination to treat Bruises Combination Product in combination with: Camphor (DB01744), Levomenthol (DB00825), Methyl salicylate (DB09543) ••• ••• ••••••• Management of Dental plaque ••• ••• ••••••••• - Associated Therapies
- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
Hover over products below to view reaction partners
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAcenocoumarol The therapeutic efficacy of Acenocoumarol can be increased when used in combination with Thymol. Dicoumarol The therapeutic efficacy of Dicoumarol can be increased when used in combination with Thymol. Fluindione The therapeutic efficacy of Fluindione can be increased when used in combination with Thymol. Phenindione The therapeutic efficacy of Phenindione can be increased when used in combination with Thymol. Phenprocoumon The therapeutic efficacy of Phenprocoumon can be increased when used in combination with Thymol. - Food Interactions
- No interactions found.
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Acne Vanish Synergy for treatment of Acnes Oil 0.7 g/50g Topical Phytopia Co., Ltd. 2016-02-29 Not applicable US 
Acute Bronchitis Synergy Oil 1.5 g/50g Topical Phytopia Co., Ltd. 2016-02-29 Not applicable US All Clear Antibacterial Solution Liquid 0.03 g/100mL Topical Froggy's Fog LLC 2020-03-30 Not applicable US Benefect Natural Hand Sanitizer Spray .06 mL/120mL Topical Sensible Life Products 2010-03-01 Not applicable US Benefect Natural Hand Sanitizer Liquid .5 mL/1L Topical Sensible Life Products 2010-03-01 Not applicable US - Mixture Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image 365 Whole Foods Market Anticavity/Antigingivitis Mouthwash Thymol (0.64 mg/1mL) + Eucalyptol (0.92 mg/1mL) + Menthol (0.42 mg/1mL) + Methyl salicylate (0.6 mg/1mL) + Sodium fluoride (0.1 mg/1mL) Mouthwash Dental Whole Foods Market, Inc. 2022-01-31 Not applicable US 365 Whole Foods Market Antigingivitis Mouthwash Thymol (0.64 mg/1mL) + Eucalyptol (0.92 mg/1mL) + Menthol (0.42 mg/1mL) + Methyl salicylate (0.6 mg/1mL) Mouthwash Dental Whole Foods Market, Inc. 2022-01-31 Not applicable US Advanced Antiseptic Thymol (.064 kg/100L) + Eucalyptol (.092 kg/100L) + Menthol (.042 kg/100L) + Methyl salicylate (.060 kg/100L) Mouthwash Oral Demoulas Super Markets, Inc 2010-07-22 Not applicable US Advanced Antiseptic Thymol (.064 mL/100L) + Eucalyptol (.042 mL/100L) + Menthol (.042 mL/100L) + Methyl salicylate (.060 mL/100L) Mouthwash Oral Wakefern Food Corporation 2010-11-24 Not applicable US Advanced Antiseptic Citrus Thymol (.042 mL/100L) + Eucalyptol (.092 mL/100L) + Menthol (.042 mL/100L) + Methyl salicylate (.060 mL/100L) Mouthwash Oral H E B 2010-10-15 Not applicable US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Antiseptic Rinse Thymol (.064 kg/100L) + Eucalyptol (.092 kg/100L) + Menthol (.042 kg/100L) + Methyl salicylate (.060 kg/100L) Mouthwash Oral Meijer 2006-08-08 Not applicable US
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Prenol lipids
- Sub Class
- Monoterpenoids
- Direct Parent
- Aromatic monoterpenoids
- Alternative Parents
- Monocyclic monoterpenoids / Phenylpropanes / Cumenes / Meta cresols / Toluenes / 1-hydroxy-4-unsubstituted benzenoids / 1-hydroxy-2-unsubstituted benzenoids / Organooxygen compounds / Hydrocarbon derivatives
- Substituents
- 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
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- phenols, monoterpenoid (CHEBI:27607) / Menthane monoterpenoids, Cyclic monoterpenes (C09908) / Menthane monoterpenoids (LMPR0102090029)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3J50XA376E
- CAS number
- 89-83-8
- InChI Key
- MGSRCZKZVOBKFT-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
- IUPAC Name
- 5-methyl-2-(propan-2-yl)phenol
- SMILES
- CC(C)C1=CC=C(C)C=C1O
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001878
- KEGG Drug
- D01039
- KEGG Compound
- C09908
- PubChem Compound
- 6989
- PubChem Substance
- 46504674
- ChemSpider
- 21105998
- BindingDB
- 50240432
- 10553
- ChEBI
- 27607
- ChEMBL
- CHEMBL29411
- ZINC
- ZINC000000967597
- Guide to Pharmacology
- GtP Drug Page
- PDBe Ligand
- IPB
- Wikipedia
- Thymol
- PDB Entries
- 1e06 / 7sjf / 7t9c / 8bxv
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data4 Completed Prevention Healthy Volunteers (HV) 1 somestatus stop reason just information to hide 4 Withdrawn Prevention Caries / Periodontal Disease 1 somestatus stop reason just information to hide 2 Recruiting Prevention Gonorrhea 1 somestatus stop reason just information to hide 2 Recruiting Treatment Inflammatory Responses / Obesity 1 somestatus stop reason just information to hide Not Available Unknown Status Treatment Periodontitis / Type 2 Diabetes Mellitus 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Oil Topical 0.7 g/50g Liquid Topical 0.03 g/100mL Liquid Dental Mouthwash Oral Mouthwash Buccal Liquid Topical Liquid Topical .5 mL/1L Spray Topical .06 mL/120mL Lotion Topical Spray Topical Powder Topical Oil Topical 0.5 g/50g Soap Topical 0.0004 1/1kg Soap Topical 0.0004 kg/1kg Spray Topical 0.0005 kg/1kg Cloth Topical 0.0005 kg/1kg Oil Topical 1.5 g/50g Mouthwash Buccal; Oral Mouthwash Dental Gel Transdermal Patch Transdermal Liquid Topical 0.3 g/100mL Gel Topical Solution, concentrate Oral Plaster Transdermal Patch Topical Oil Topical 1.7 g/50g Rinse Oral Mouthwash Dental; Oral Spray Oral Solution Topical 60 mg/100ml Jelly Nasal Soap Topical 0.0024 kg/1kg Mouthwash Oral 0.15 % Lozenge Oral Liquid Oral Stick Topical Plaster Topical Patch Cutaneous; Topical; Transdermal Spray Oral 0.05 g/100mL Liquid Respiratory (inhalation) Cream Topical Ointment Topical - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
Property Value Source melting point (°C) 51.5 °C PhysProp boiling point (°C) 232.5 °C PhysProp water solubility 900 mg/L (at 20 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992) logP 3.30 HANSCH,C ET AL. (1995) pKa 10.6 (at 20 °C) SERJEANT,EP & DEMPSEY,B (1979) - Predicted Properties
Property Value Source Water Solubility 0.643 mg/mL ALOGPS logP 3.16 ALOGPS logP 3.43 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 10.59 Chemaxon pKa (Strongest Basic) -5.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 20.23 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 47.27 m3·mol-1 Chemaxon Polarizability 17.84 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9955 Blood Brain Barrier + 0.9381 Caco-2 permeable + 0.9153 P-glycoprotein substrate Non-substrate 0.722 P-glycoprotein inhibitor I Non-inhibitor 0.9343 P-glycoprotein inhibitor II Non-inhibitor 0.9883 Renal organic cation transporter Non-inhibitor 0.9036 CYP450 2C9 substrate Non-substrate 0.7352 CYP450 2D6 substrate Substrate 0.7838 CYP450 3A4 substrate Non-substrate 0.5667 CYP450 1A2 substrate Inhibitor 0.9107 CYP450 2C9 inhibitor Non-inhibitor 0.907 CYP450 2D6 inhibitor Non-inhibitor 0.9368 CYP450 2C19 inhibitor Non-inhibitor 0.9026 CYP450 3A4 inhibitor Non-inhibitor 0.9196 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.7429 Ames test Non AMES toxic 0.9282 Carcinogenicity Non-carcinogens 0.7195 Biodegradation Not ready biodegradable 0.7808 Rat acute toxicity 2.2996 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.8987 hERG inhibition (predictor II) Non-inhibitor 0.9087
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 137.1829015 predictedDarkChem Lite v0.1.0 [M-H]- 138.2188015 predictedDarkChem Lite v0.1.0 [M-H]- 137.2678015 predictedDarkChem Lite v0.1.0 [M-H]- 137.1608015 predictedDarkChem Lite v0.1.0 [M-H]- 137.74368 predictedDeepCCS 1.0 (2019) [M+H]+ 137.4129015 predictedDarkChem Lite v0.1.0 [M+H]+ 138.6909015 predictedDarkChem Lite v0.1.0 [M+H]+ 137.4767015 predictedDarkChem Lite v0.1.0 [M+H]+ 137.3895015 predictedDarkChem Lite v0.1.0 [M+H]+ 140.88367 predictedDeepCCS 1.0 (2019) [M+Na]+ 137.0607015 predictedDarkChem Lite v0.1.0 [M+Na]+ 138.1330015 predictedDarkChem Lite v0.1.0 [M+Na]+ 137.3342015 predictedDarkChem Lite v0.1.0 [M+Na]+ 137.3237015 predictedDarkChem Lite v0.1.0 [M+Na]+ 150.32475 predictedDeepCCS 1.0 (2019)
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52