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89231 Sigma-Aldrich

(−)-α-Thujone

≥96.0% (GC)

Synonym: (-)-alpha-Thujone, (1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one

  • CAS Number 546-80-5

  • Empirical Formula (Hill Notation) C10H16O

  • Molecular Weight 152.23

  •  Beilstein/REAXYS Number 4660369

  •  EC Number 208-912-2

  •  MDL number MFCD00001313

  •  PubChem Substance ID 57653336

  •  NACRES NA.22

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Properties

Related Categories Antagonists, Artemisia vulgaris, Asymmetric Synthesis, Cell Biology, Cell Signaling and Neuroscience,
assay   ≥96.0% (GC)
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.

Packaging

1, 5 mL in glass bottle

Biochem/physiol Actions

GABAA receptor antagonist.

Other Notes

Chiral building block

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
RIDADR 
NA 1993 / PGIII
WGK Germany 
WGK 3
RTECS 
XO9625000
Flash Point(F) 
147.2 °F - closed cup
Flash Point(C) 
64 °C - closed cup

Documents

Certificate of Analysis (COA)

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Protocols & Articles
Peer-Reviewed Papers
15

References

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