Thujone
CAS Registry Number®
546-80-5
CAS Name
ThujoneMolecular Formula
C10H16OMolecular Mass
152.23Cite this Page
Thujone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=546-80-5 (retrieved ) (CAS RN: 546-80-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
203 °CMelting Point (1)
<25 °CDensity (2)
0.919 g/cm³ @ Temp: 15 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Godchot, Marcel; Compt. rend., (1914), 158, 1807-8, CAplus
Other Names and Identifiers
InChI
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
InChIKey=USMNOWBWPHYOEA-MRTMQBJTSA-N
SMILES
C(C)(C)[C@]12[C@](C1)([C@@H](C)C(=O)C2)[H]
Canonical SMILES
O=C1CC2(CC2C1C)C(C)C
Other Names for this Substance
- Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
- 3-Thujanone, (1S,4R,5R)-(-)-
- Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4α,5α)]-
- (1S,4R,5R)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
- α-Thujone
Deleted or Replaced CAS Registry Numbers
1310340-03-4, 2407704-71-4
