Rupestric Acid
[CAS# 98873-75-7]

Identification

• Name: Rupestric Acid
• Synonyms: 2-[(3R,5S,8S,8As)-3,8-Dimethyl-1,2,3,5,6,7,8,8A-Octahydroazulen-5-Yl]Acrylic Acid; 5-Azuleneacetic Acid, 1,2,3,5,6,7,8,8A-Octahydro-3,8-Dimethyl-Alpha-Methylene-, (3R-(3Alpha,5Alpha,8Beta,8Aalpha))-; Rupestric Acid
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• CAS Registry Number: 98873-75-7
• SMILES: [C@@H]12C(=C[C@@H](C(C(=O)O)=C)CC[C@@H]1C)[C@@H](CC2)C
• InChI: 1S/C15H22O2/c1-9-4-6-12(11(3)15(16)17)8-14-10(2)5-7-13(9)14/h8-10,12-13H,3-7H2,1-2H3,(H,16,17)/t9-,10+,12-,13-/m0/s1
• InChIKey: YLHKXUGXGXKMRY-LFSVMHDDSA-N

Properties

• Density: 1.047g/cm³ (Cal.)
• Boiling point: 379.061°C at 760 mmHg (Cal.)
• Flash point: 278.244°C (Cal.)