α-Thujone
Suppliers
Names
[ CAS No. ]:
546-80-5
[ Name ]:
α-Thujone
[Synonym ]:
Thujon
l-Thujone
Tanacetone
6-Ketosabinane
Bicyclo[3.1.0]hexan-3-one,4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
(-)-alpha-thujone
Chemical & Physical Properties
[ Density]:
0.914 g/mL at 20ºC(lit.)
[ Boiling Point ]:
84-86ºC17 mm Hg(lit.)
[ Melting Point ]:
181ºC
[ Molecular Formula ]:
C10H16O
[ Molecular Weight ]:
152.23300
[ Flash Point ]:
148 °F
[ Exact Mass ]:
152.12000
[ PSA ]:
17.07000
[ LogP ]:
2.25760
[ Index of Refraction ]:
n20/D 1.450
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XO9625000
- CHEMICAL NAME :
- 3-Thujanone, (1S,4R,5R)-(-)-
- CAS REGISTRY NUMBER :
- 546-80-5
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C10-H16-O
- MOLECULAR WEIGHT :
- 152.26
- WISWESSER LINE NOTATION :
- L35 EVTJ AY1&1 D1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2448856
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 120 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 65,275,1939
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2157 ug/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 29,2,1940
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 362 ug/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 29,2,1940
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 31 ug/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
- REFERENCE :
- JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 29,2,1940
Safety Information
[ Symbol ]:
GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H302
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Risk Phrases ]:
R22
[ Safety Phrases ]:
23-26-36/37/39-45
[ RIDADR ]:
UN 2810 6.1/PG 3
[ RTECS ]:
XO9625000
Articles
J. Sep. Sci. 36(5) , 832-9, (2013)
In a first step, 26 chiral stationary phases (CSPs) have been screened for the separation of (-)-α-thujone, (+)-β-thujone epimers and camphor enantiomers by LC. The separations were monitored by a pol...
J. Agric. Food Chem. 57(7) , 2782-5, (2009)
Research was conducted to ascertain whether analyses of vintage absinthe samples represent their original composition in the early 1900s. Absinthe stored in traditional green glass bottles and irradia...
Toxicol. Appl. Pharmacol. 271(2) , 216-28, (2013)
Plants containing thujone have widespread use and hence have significant human exposure. α-Thujone caused seizures in rodents following gavage administration. We investigated the toxicokinetics of α-t...