12-Oxophytodienoic Acid
[CAS# 67204-66-4]

Identification

• Name: 12-Oxophytodienoic Acid
• Synonyms: 8-[4-Oxo-5-[(E)-Pent-2-Enyl]-1-Cyclopent-2-Enyl]Octanoic Acid; 8-(4-Keto-5-Pent-2-Enyl-1-Cyclopent-2-Enyl)Caprylic Acid; 8-[4-Keto-5-[(E)-Pent-2-Enyl]-1-Cyclopent-2-Enyl]Caprylic Acid
• Molecular Formula: C₁₈H₂₈O₃
• Molecular Weight: 292.42
• CAS Registry Number: 67204-66-4
• SMILES: C(C1C(C(=O)C=C1)C\C=C\CC)CCCCCCC(O)=O
• InChI: 1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3+
• InChIKey: PMTMAFAPLCGXGK-XVNBXDOJSA-N

Properties

• Density: 1.007g/cm³ (Cal.)
• Boiling point: 447.702°C at 760 mmHg (Cal.)
• Flash point: 238.691°C (Cal.)