Nootkatone
[CAS# 91416-23-8]

Identification

• Name: Nootkatone
• Synonyms: 6-Isopropenyl-4,4A-Dimethyl-3,4,5,6,7,8-Hexahydronaphthalen-2-One; 4Betah,5Alpha-Eremophila-1(10),11-Dien-2-One; 4A,5-Dimethyl-1,2,3,4,4A,5,6,7-Octahydro-7-Keto-3-Isopropenylnaphthalene
• Molecular Formula: C₁₅H₂₂O
• Molecular Weight: 218.34
• CAS Registry Number: 91416-23-8
• SMILES: CC12C(=CC(=O)CC1C)CCC(C2)C(=C)C
• InChI: 1S/C15H22O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12H,1,5-7,9H2,2-4H3
• InChIKey: WTOYNNBCKUYIKC-UHFFFAOYSA-N

Properties

• Density: 0.968g/cm³ (Cal.)
• Boiling point: 73-103°C (Expl.)
• Flash point: 142.098°C (Cal.)
• Refractive index: 1.51-1.523 (Expl.)