|
|
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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
* 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
- 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,1-3H3InChIKey
RECUKUPTGUEGMW-UHFFFAOYSA-NSmiles
CC(C)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.