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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. It was formerly used as a vermifuge.

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

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.