Polygodial
[CAS# 6754-20-7]

Identification

• Name: Polygodial
• Synonyms: (1R,4As,8As)-5,5,8A-Trimethyl-1,4,4A,6,7,8-Hexahydronaphthalene-1,2-Dicarboxaldehyde; 33118-34-2 ([1R,4As,8As]-Rel-); 6754-20-7 ([1R,4As,8As])
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• CAS Registry Number: 6754-20-7
• SMILES: [C@@]12([C@@H](CC=C([C@@H]1C=O)C=O)C(CCC2)(C)C)C
• InChI: 1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1
• InChIKey: AZJUJOFIHHNCSV-KCQAQPDRSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 330.7±35.0°C at 760 mmHg (Cal.)
• Flash point: 124.0±22.9°C (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol

References

• (1): Howell S. Christopher, Ley Steven V., Mahon Michael, Worthington Paul A.. Synthesis of cinnamolide and polygodial, Journal of the Chemical Society, Chemical Communications, 1981