Skip Navigation
ChemIDplus Lite•Browse•Advanced

Substance Name: Thymol [JAN:NF]
RN: 89-83-8
UNII: 3J50XA376E
InChIKey: MGSRCZKZVOBKFT-UHFFFAOYSA-N

Note

  • A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.2196
 

Classification Codes

  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Antifungal Agents
  • Drug / Therapeutic Agent
  • Mutation Data
  • Pharmaceutic Aid (Stabilizer)
  • Reproductive Effect
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 5-Methyl-2-(1-methylethyl)phenol
  • Phenol, 5-methyl-2-(1-methylethyl)-
  • Thymol
  • Thymol [JAN:NF]

MeSH Heading

  • Thymol

Synonyms

  • 1-Hydroxy-5-methyl-2-isopropylbenzene
  • 1-Methyl-3-hydroxy-4-isopropylbenzene
  • 2-Hydroxy-1-isopropyl-4-methylbenzene
  • 2-Isopropyl-5-methylphenol
  • 3-Hydroxy-1-methyl-4-isopropylbenzene
  • 3-Hydroxy-p-cymene
  • 3-Methyl-6-isopropylphenol
  • 3-p-Cymenol
  • 5-Methyl-2-(1-methylethyl)phenol
  • 5-Methyl-2-isopropyl-1-phenol
  • 5-Methyl-2-isopropylphenol
  • 6-Isopropyl-3-methylphenol
  • 6-Isopropyl-m-cresol
  • 6-Isopropyl-p-cresol
  • AI3-00708
  • Apiguard
  • Caswell No. 856A
  • CCRIS 7299
  • Cymophenol, alpha-
  • EC 201-944-8
  • EINECS 201-944-8
  • EPA Pesticide Chemical Code 080402
  • FEMA No. 3066
  • FEMA Number 3066
  • HSDB 866
  • Isopropyl cresol
  • m-Cresol, 6-isopropyl-
  • m-Thymol
  • NSC 11215
  • p-Cymen-3-ol
  • p-Cymene, 3-hydroxy-
  • Phenol, 2-isopropyl-5-methyl-
  • Phenol, 5-methyl-2-(1-methylethyl)-
  • Thyme camphor
  • Thymic acid
  • Thymol
  • Thymol (natural)
  • UNII-3J50XA376E

Systematic Names

  • Phenol, 5-methyl-2-(1-methylethyl)-
  • Thymol

Superlist Names

  • 5-Methyl-2-isopropyl-1-phenol
  • Thymol

Registry Numbers

CAS Registry Number

  • 89-83-8

FDA UNII

  • 3J50XA376E

System Generated Number

  • 0000089838

Structure Descriptors

InChI

InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3

InChIKey

MGSRCZKZVOBKFT-UHFFFAOYSA-N

Smiles

CC(C)c1ccc(C)cc1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 250mg/kg (250mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959.
dog LDLo intravenous 150mg/kg (150mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Therapie. Vol. 3, Pg. 109, 1948.
frog LDLo subcutaneous 150mg/kg (150mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959.
guinea pig LD50 oral 880mg/kg (880mg/kg) BEHAVIORAL: COMA

GASTROINTESTINAL: GASTRITIS

BEHAVIORAL: TREMOR		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
guinea pig LDLo intraperitoneal 300mg/kg (300mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959.
guinea pig LDLo subcutaneous 1100mg/kg (1100mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959.
mouse LD50 intraperitoneal 110mg/kg (110mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 Quarterly Journal of Crude Drug Research. Vol. 19, Pg. 1, 1981.
mouse LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
mouse LD50 oral 640mg/kg (640mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION		 Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. Vol. 5, Pg. 111, 1956.
mouse LD50 subcutaneous 243mg/kg (243mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. Vol. 5, Pg. 111, 1956.
rabbit LDLo intravenous 60mg/kg (60mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959.
rabbit LDLo oral 750mg/kg (750mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 17, Pg. 261, 1921.
rat LD50 oral 980mg/kg (980mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LDLo subcutaneous 1600mg/kg (1600mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 172, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51.5 deg C   EXP
Boiling Point 232.5 deg C   EXP
pKa Dissociation Constant 10.62 (none) 20 EXP
log P (octanol-water) 3.3 (none)   EXP
Water Solubility 900 mg/L 20 EXP
Vapor Pressure 0.0022 mm Hg 25 EXP
Henry's Law Constant 4.83E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.07E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.