Description
(−)-α-Thujone
≥96.0% (GC)
Synonym(s):
(-)-alpha-Thujone, (1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
Empirical Formula (Hill Notation):
C10H16O
Molecular Weight:
152.23
Beilstein:
4660369
EC Number:
208-912-2
MDL number:
MFCD00001313
PubChem Substance ID:
57653336
NACRES:
NA.22
PROPERTIES
Quality Level
100
Assay
≥96.0% (GC)
form
liquid
optical activity
[α]20/D −19.0±2.0°, neat
refractive index
n20/D 1.450
density
0.914 g/mL at 20 °C (lit.)
storage temp.
2-8°C
SMILES string
CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
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
InChI key
USMNOWBWPHYOEA-MRTMQBJTSA-N
DESCRIPTION
General description
(-)-α-Thujone, a monoterpene ketone found in the essential oil of Thuja occidentalis, shows potent antitumorigenic effect.[1]
Biochem/physiol Actions
GABAA receptor antagonist.
Other Notes
Chiral building block[2][3][4]
SAFETY INFORMATION
Signal Word
Warning
Hazard Statements
H302
Precautionary Statements
P264 - P270 - P301 + P312 - P501
Hazard Classifications
Acute Tox. 4 Oral
Storage Class Code
10 - Combustible liquids
WGK
WGK 1
Flash Point(F)
147.2 °F - closed cup
Flash Point(C)
64 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves