Nootkatone

• Synonyms: 6-Isopropenyl-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
• IUPAC Name: (4R,4aS,6R)-4,4a-Dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
• Molecular Weight: 218.33
• Molecular Formula: C15H22O
• SMILES: CC1CC(=O)C=C2C1(CC(CC2)C(=C)C)C
• InChI: 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/t11-,12-,15+/m1/s1
• InChI Key: WTOYNNBCKUYIKC-JMSVASOKSA-N
• Boiling Point: 125 °C
• Melting Point: 35-39 °C
• Flash Point: 99 °C
• Purity: 95%+
• Density: 0,997 g/cm³
• Solubility: Slightly soluble in ethanol and chloroform; partly soluble in water
• Exact Mass: 218.167065321
• Physical State: Oily liquid
• Refractive Index: n20/D 1.52(lit.)