S726279
(?)-α-Thujone , ≥96.0%(GC) , 546-80-5
Synonym(s):
(-)-alpha-Thujone;(1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
CAS NO.：546-80-5
Empirical Formula: C10H16O
Molecular Weight: 152.23
MDL number: MFCD00001313
EINECS: 208-912-2
| Pack Size | Price | Stock | Quantity |
| 1ml | RMB638.06 | In Stock |
|
| 5ml | RMB2800.02 | In Stock |
|
| others | Enquire |
Update time: 2022-07-08
PRODUCT 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 | n |
| Flash point: | 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) |
| 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) |
Description and Uses
α-Thujone is a GABA modulator and a genotoxic compound found in plants used in traditional medicines in developing countries.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 |
| Precautionary statements | P264-P270-P301+P312-P501 |
| 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 |
| Toxicity | LD50 s.c. in mice: 87.5 mg/kg (Rice, Wilson) |
