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Substance Name: Carvacrol
RN: 499-75-2
UNII: 9B1J4V995Q
InChIKey: RECUKUPTGUEGMW-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Antiviral (COVID-19)
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C10-H14-O

Molecular Weight

  • 150.2196
 
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Names and Synonyms

Name of Substance

  • Carvacrol

Synonyms

  • 1-Hydroxy-2-methyl-5-isopropylbenzene
  • 1-Methyl-2-hydroxy-4-isopropylbenzene
  • 2-Hydroxy-p-cymene
  • 2-Methyl-5-(1-methylethyl)phenol
  • 2-Methyl-5-isopropylphenol
  • 2-p-Cymenol
  • 3-Isopropyl-6-methylphenol
  • 4-06-00-03331 (Beilstein Handbook Reference)
  • 5-Isopropyl-2-methylphenol
  • 5-Isopropyl-o-cresol
  • 6-Methyl-3-isopropylphenol
  • AI3-03438
  • Antioxine
  • BRN 1860514
  • Carvacrol
  • Caswell No. 511
  • CCRIS 7450
  • Cymene-2-ol, p-
  • EINECS 207-889-6
  • EPA Pesticide Chemical Code 022104
  • FEMA No. 2245
  • HSDB 906
  • Isopropyl-o-cresol
  • Karvakrol
  • NSC 6188
  • o-Cresol, 5-isopropyl-
  • o-Thymol
  • p-Cymen-2-ol
  • p-Cymene, 2-hydroxy-
  • Phenol, 2-methyl-5-(1-methylethyl)-
  • Phenol, 3-isopropyl-6-methyl-
  • Phenol, 5-isopropyl-2-methyl-
  • UNII-9B1J4V995Q

Systematic Names

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

Superlist Name

  • Carvacrol

Registry Numbers

CAS Registry Number

  • 499-75-2

FDA UNII

  • 9B1J4V995Q

System Generated Number

  • 0000499752

Structure Descriptors

InChI

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

InChIKey

RECUKUPTGUEGMW-UHFFFAOYSA-N

Smiles

CC(C)c1ccc(C)c(O)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 100mg/kg (100mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 46, 1959.
dog LDLo intravenous 310mg/kg (310mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Therapie. Vol. 3, Pg. 109, 1948.
frog LDLo subcutaneous 75mg/kg (75mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 46, 1959.
mouse LD50 intraperitoneal 73300ug/kg (73.3mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA		 Quarterly Journal of Crude Drug Research. Vol. 19, Pg. 1, 1981.
mouse LD50 intravenous 80mg/kg (80mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
mouse LD50 subcutaneous 680mg/kg (680mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952.
rabbit LDLo oral 100mg/kg (100mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 161, Pg. 196, 1931.
rabbit LDLo skin 2700mg/kg (2700mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
rabbit LDLo subcutaneous 1gm/kg (1000mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 46, 1959.
rat LD50 oral 810mg/kg (810mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 1 deg C   EXP
Boiling Point 237.7 deg C   EXP
log P (octanol-water) 3.49 (none)   EXP
Water Solubility 1250 mg/L 25 EXP
Atmospheric OH Rate Constant 9.95E-11 cm3/molecule-sec 25 EST

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