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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
- All
- Classifications
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- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Anti-Infective Agents
- Anti-Infective Agents, Local
- Antifungal Agents
- Drug / Therapeutic Agent
- Mutation Data
- Pharmaceutic Aid (Stabilizer)
- Reproductive Effect
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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
1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3InChIKey
MGSRCZKZVOBKFT-UHFFFAOYSA-NSmiles
c1(c(cc(C)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.