Aciphyllic Acid
[CAS# 57110-46-0]

Identification

• Name: Aciphyllic Acid
• Synonyms: 2-[(5S,8S,8As)-3,8-Dimethyl-1,2,4,5,6,7,8,8A-Octahydroazulen-5-Yl]Acrylic Acid; Aciphyllic Acid; 5-Azuleneacetic Acid, 1,2,4,5,6,7,8,8A-Octahydro-3,8-Dimethyl-Alpha-Methylene-, (5S-(5Alpha,8Beta,8Aalpha))-
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• CAS Registry Number: 57110-46-0
• SMILES: [C@H]12C(=C(CC1)C)C[C@@H](C(C(=O)O)=C)CC[C@@H]2C
• InChI: 1S/C15H22O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h9,12-13H,3-8H2,1-2H3,(H,16,17)/t9-,12-,13-/m0/s1
• InChIKey: HEIJYTOSZVGQPT-XDTLVQLUSA-N

Properties

• Density: 1.051g/cm³ (Cal.)
• Boiling point: 381.069°C at 760 mmHg (Cal.)
• Flash point: 280.032°C (Cal.)