| Identification | Back Directory | [Name]
ALPHA-(-)-THUJONE | [CAS]
546-80-5 | [Synonyms]
Thujon
Nsc93742
l-Thujone
a-Thujone
Tanacetone
thujan-3-one
6-Ketosabinane
(-)-3-thujanon
(-)-3-Isothujone
Isothujone, (-)-
(-)-ALPHA-THUJONE
ALPHA-(-)-THUJONE
3-Thujanone, (-)-
THUJONE, ALPHA-(-)-
A-(-)-THUJONE WITH GC
(1S,4R,5R)- 3-Thujanone
(1s,4r,5r)-(-)-3-thujanon
3-Thujanone, (1S,4R,5R)-(-)-
(-)-alpha-Thujone >=96.0% (GC)
4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
(1S,4R)-1-ISOPROPYL-4-METHYLBICYCLO[3.1.0]HEXAN-3-ONE
[1S]-4-Methyl-1α-[1-methylethyl] bicyclo[3.1.0]hexan-3-one
Bicyclo3.1.0hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
()-α-Thujone,(1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4α,5α)]-
bicyclo[3.1.0]hexan-3-one,4-methyl-1-(1-methylethyl)-,[1s-(1alpha,4alpha,5
bicyclo(3.1.0)hexan-3-one,4-methyl-1-(1-methylethyl)-,(1s-1-alpha,4-alpha,5
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1alpha,4alpha,5alpha)]-
4-methyl-1-(1-methylethyl)-,[1S-(1.alpha.,4.alpha.,5.alpha.)]-Bicyclo[3.1.0]hexan-3-one | [EINECS(EC#)]
208-912-2 | [Molecular Formula]
C10H16O | [MDL Number]
MFCD00001313 | [MOL File]
546-80-5.mol | [Molecular Weight]
152.23 |
| Chemical Properties | Back Directory | [Appearance]
Colorless liquid. Insoluble in water; soluble in
alcohol. Combustible. | [Melting point ]
181℃ | [alpha ]
D20 -19.2° | [Boiling point ]
84-86 °C17 mm Hg(lit.)
| [density ]
0.914 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.450
| [Fp ]
148 °F
| [storage temp. ]
2-8°C
| [solubility ]
DMSO : 100 mg/mL (656.90 mM; Need ultrasonic) | [form ]
Oil | [color ]
Colourless | [Odor]
at 10.00 % in dipropylene glycol. cedarleaf thujonic | [Odor Type]
thujonic | [optical activity]
[α]20/D 19.0±2.0°, neat | [BRN ]
4660369 | [LogP]
2.044 (est) | [Uses]
Solvent. | [CAS DataBase Reference]
546-80-5 | [EPA Substance Registry System]
Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)- (546-80-5) |
| Hazard Information | Back Directory | [Chemical Properties]
Colorless liquid. Insoluble in water; soluble in
alcohol. Combustible. | [Definition]
ChEBI: The (1S,4R,5R)-stereoisomer of alpha-thujone. | [Hazard]
Toxic by ingestion. | [General Description]
(-)-α-Thujone, a monoterpene ketone found in the essential oil of Thuja occidentalis, shows potent antitumorigenic effect. | [Biochem/physiol Actions]
GABAA receptor antagonist. | [storage]
Store at -20°C |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [Safety Statements ]
23-26-36/37/39-45 | [RIDADR ]
UN 2810 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
XO9625000
| [F ]
23 | [HS Code ]
2914290090 | [Safety Profile]
Poison by intravenous,
intraperitoneal, and subcutaneous routes.
Moderately toxic by ingestion. Serious
physiological consequences from abuse of
absinthe (mainly in France) led to its
abolition in 1915. Wormwood is still used in
concentrations of less than 10 ppm in
flavored wines. Thujone at 30 mg/kg causes
convulsions associated with lesions of the
cerebral cortex. Little is known of thujone
metabolism. Both forms occur in
wormwood oil, oak moss. The a form is
major constituent of cedar leaf oil or oil of
thuja, sage. The p form occurs in tansy,
yarrow. When heated to decomposition it
emits acrid smoke and irritating fumes. | [Toxicity]
LD50 s.c. in mice: 87.5 mg/kg (Rice, Wilson) |
|
| Company Name: |
Energy Chemical
|
| Tel: |
021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
|
| Tel: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
|