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(-)-Α-Thujone

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(-)-α-Thujone / CAS : 546-80-5

Appearance Colorless or nearly colorless liquid with a menthol like odor UN 2810
HS 29142990 DG Class 6.1
Synonyms Bicyclo[3.1.0]Hexan-3-One, 4-Methyl-1-(1-Methylethyl)-, (L); (-)-Alpha-Thujone; Tanacetone; L-Thujone; Thujon; 6-Ketosabinane; Bicyclo[3.1.0]Hexan-3-One,4-Methyl-1-(1-Methylethyl)-, (1S,4R,5R)-
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Properties

Summary

Formula
C10H16O
Molecular Mass
152.23300
Exact Mass
152.12000
PSA
17.07000
Logp
2.25760
IUPAC
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
SMILES
C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
Plant and Other Extracts > Plant Extracts

Chemical and Physical Properties

Density
0.914 g/mL
Boiling Point
84-86ºC17 mm Hg(lit.)
Flash Point
148 °F
Appearance
Colorless or nearly colorless liquid with a menthol like odor
Acidity and Basicity
neutral

Export information

HS Code
29142990
Export Rebate
13%
UN No.
2810
DG-Class
6.1
Risk Code
R22
Safety Label
Xn

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