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ALPHA-(-)-THUJONE Structure

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
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
FDA UNII R0SQ9G0DU5
EPA Substance Registry System Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)- (546-80-5)

Safety

Symbol(GHS)
Signal wordWarning
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
23
HS Code  2914290090
Toxicity LD50 s.c. in mice: 87.5 mg/kg (Rice, Wilson)

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