(4aS,5S,8aS)-3-Methyl-8-Methylidene-5-Propan-2-Yl-1,4a,5,6,7,8a-Hexahydronaphthalen-2-One
[CAS# 39765-72-5]

Identification

• Name: (4aS,5S,8aS)-3-Methyl-8-Methylidene-5-Propan-2-Yl-1,4a,5,6,7,8a-Hexahydronaphthalen-2-One
• Synonyms: (4As,5S,8As)-5-Isopropyl-3-Methyl-8-Methylene-1,4A,5,6,7,8A-Hexahydronaphthalen-2-One; Cadina-4,10(15)-Dien-3-One; Inchi=1/C15h22o/C1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/H7,9,12-14H,3,5-6,8H2,1-2,4H
• Molecular Formula: C₁₅H₂₂O
• Molecular Weight: 218.34
• CAS Registry Number: 39765-72-5
• SMILES: [C@@H]1([C@@H]2[C@@H](C(CC1)=C)CC(=O)C(=C2)C)C(C)C
• InChI: 1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9,12-14H,3,5-6,8H2,1-2,4H3/t12-,13+,14+/m0/s1
• InChIKey: QUTSKAAVYUOEQA-BFHYXJOUSA-N

Properties

• Density: 0.965g/cm³ (Cal.)
• Boiling point: 320.294°C at 760 mmHg (Cal.)
• Flash point: 142.758°C (Cal.)