(Z)-3,7-Dimethylocta-2,6-Dienyl Octanoate
[CAS# 71648-18-5]

Identification

• Name: (Z)-3,7-Dimethylocta-2,6-Dienyl Octanoate
• Synonyms: Octanoic Acid [(2E)-3,7-Dimethylocta-2,6-Dienyl] Ester; Caprylic Acid [(2E)-3,7-Dimethylocta-2,6-Dienyl] Ester
• Molecular Formula: C₁₈H₃₂O₂
• Molecular Weight: 280.45
• CAS Registry Number: 71648-18-5 (51532-26-4)
• EINECS: 257-256-3
• SMILES: C(\C=C(\CCC=C(C)C)C)OC(CCCCCCC)=O
• InChI: 1S/C18H32O2/c1-5-6-7-8-9-13-18(19)20-15-14-17(4)12-10-11-16(2)3/h11,14H,5-10,12-13,15H2,1-4H3/b17-14+
• InChIKey: YYBMOGCOPQVSLQ-SAPNQHFASA-N

Properties

• Density: 0.888g/cm³ (Cal.)
• Boiling point: 364.768°C at 760 mmHg (Cal.)
• Flash point: 101.529°C (Cal.)

References

• (1): L. Gunnar W. Bergström. Chemical communication by behaviour-guiding olfactory signals, Chem. Commun., 2008, 3959.