Chemical Compound

THUJONE

CAS Registry Number 1125-12-8
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THUJONE chemical structure
Primary Record

THUJONE

In stock
858 g
Purity
99.2 %
CAS
1125-12-8

Compound Identifiers & Properties

CAS
1125-12-8
PubChem CID
44630507
SMILES
C[C@H]1[C@H]2C[C@]2(CC1=O)C(C)C.C[C@H]1[C@@H]2C[C@]2(CC1=O)C(C)C
Canonical SMILES
CC(C)[C@]12CC(=O)[C@@H](C)[C@@H]1C2.CC(C)[C@]12CC(=O)[C@@H](C)[C@H]1C2

Names & Synonyms

  • THUJONE
  • RefChem:1092861
  • Npc204852
  • 1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
  • CS-0451311
  • T0989
  • 1125-12-8
  • (1S,4S,5R)-1-isopropyl-4-methylbicyclo[3.1.0]Hexan-3-one compound with (1S,4S,5S)-1-isopropyl-4-methylbicyclo[3.1.0]Hexan-3-one (1:1)