Thujone
[CAS# 471-15-8]

Identification

• Name: Thujone
• Synonyms: (1S,4S,5S)-1-Isopropyl-4-Methyl-Bicyclo[3.1.0]Hexan-3-One; (1S,4S,5S)-1-Isopropyl-4-Methyl-3-Bicyclo[3.1.0]Hexanone; (1S,4S,5S)-4-Methyl-1-Propan-2-Yl-Bicyclo[3.1.0]Hexan-3-One
• Molecular Formula: C₁₀H₁₆O
• Molecular Weight: 152.24
• CAS Registry Number: 471-15-8
• SMILES: [C@H]1(C(=O)C[C@@]2(C(C)C)[C@H]1C2)C
• 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: USMNOWBWPHYOEA-NRPADANISA-N

Properties

• Density: 1.009g/cm³ (Cal.)
• Boiling point: 200.499°C at 760 mmHg (Cal.)
• Flash point: 64.444°C (Cal.)