- α-Thujone
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-
2026-07-17
- CAS:546-80-5
- Purity: 98.07%
- Supply Ability: 10g
- Alpha-Thujone
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- $50.00
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2025-05-23
- CAS:546-80-5
- Min. Order: 1kg
- Purity: 99
- Supply Ability: 5000
- ()-α-Thujone
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- $15.00
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2021-07-02
- CAS:546-80-5
- Min. Order: 1KG
- Purity: 99%+ HPLC
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| | ALPHA-(-)-THUJONE Basic information | | Uses |
| Product Name: | ALPHA-(-)-THUJONE | | Synonyms: | (1s,4r,5r)-(-)-3-thujanon;3-Thujanone, (-)-;3-Thujanone, (1S,4R,5R)-(-)-;4-methyl-1-(1-methylethyl)-,[1S-(1.alpha.,4.alpha.,5.alpha.)]-Bicyclo[3.1.0]hexan-3-one;4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one;THUJONE, ALPHA-(-)-;(-)-ALPHA-THUJONE;ALPHA-(-)-THUJONE | | CAS: | 546-80-5 | | MF: | C10H16O | | MW: | 152.23 | | EINECS: | 208-912-2 | | Product Categories: | Organics | | Mol File: | 546-80-5.mol |  |
| | ALPHA-(-)-THUJONE Chemical Properties |
| 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 Rotation | [α]20/D 19.0±2.0°, neat | | BRN | 4660369 | | Cosmetics Ingredients Functions | PERFUMING | | InChI | 1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1 | | InChIKey | USMNOWBWPHYOEA-MRTMQBJTSA-N | | SMILES | CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2 | | LogP | 2.044 (est) | | 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 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 | | TSCA | TSCA listed | | HS Code | 2914290090 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral | | Toxicity | LD50 s.c. in mice: 87.5 mg/kg (Rice, Wilson) |
| | ALPHA-(-)-THUJONE Usage And Synthesis |
| Uses | α-Thujone is a GABA modulator and a genotoxic compound found in plants used in traditional medicines in developing countries. | | Chemical Properties | Colorless liquid. Insoluble in water; soluble in
alcohol. Combustible. | | Uses | Solvent. | | Uses | α-Thujone is a GABA modulator and a genotoxic compound found in plants used in traditional medicines in developing countries. | | Definition | ChEBI: The (1S,4R,5R)-stereoisomer of alpha-thujone. | | General Description | (-)-α-Thujone, a monoterpene ketone found in the essential oil of Thuja occidentalis, shows potent antitumorigenic effect. | | Hazard | Toxic by ingestion. | | Biochem/physiol Actions | GABAA receptor antagonist. | | 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. |
| | ALPHA-(-)-THUJONE Preparation Products And Raw materials |
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