CAS Registry Number®
471-15-8
CAS Name
(+)-Thujone
Molecular Formula
C10H16O
Molecular Mass
152.23
Compound Properties
-
Boiling Point (1)
202-203 °C @ Press: 760 Torr
-
Melting Point (2)
170 °C
-
Density (1)
0.9154 g/cm³ @ Temp: 20 °C
Source(s)
- (1) Bonino, G. B.; Mem. accad. Italia. Chim., (1932), 3(No. 4), 5-41, CAplus
- (2) Wilson, John B.; Journal of the Association of Official Agricultural Chemists, (1930), 13, 389-97, 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-/m0/s1
InChIKey
InChIKey=USMNOWBWPHYOEA-XKSSXDPKSA-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,4S,5R)-
- 3-Thujanone, (1S,4S,5R)-(+)-
- Isothujone
- Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1α,4β,5α)]-
- (1S,4S,5R)-4-Methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
- (+)-Isothujone
- β-Thujone
- d-Isothujone
- Thujone, (+)-
- d-β-Thujone
- cis-Thujone
- (+)-Thujone
- (+)-β-Thujone
- NSC 67392
- 4-Methyl-1-(1-methylethyl)-[1S-(1α,4β,5α)]-bicyclo[3.1.0]hexan-3-one
Deleted or Replaced CAS Registry Numbers
7785-59-3, 33766-29-9, 1933729-95-3