Docos-13-Enyl Docos-13-Enoate
[CAS# 84605-12-9]

Identification

• Name: Docos-13-Enyl Docos-13-Enoate
• Synonyms: (E)-Docos-13-Enoic Acid [(E)-Docos-13-Enyl] Ester; Erucyl Erucate; (Z)-Docos-13-Enyl (Z)-Docos-13-Enoate
• Molecular Formula: C₄₄H₈₄O₂
• Molecular Weight: 645.15
• CAS Registry Number: 84605-12-9
• EINECS: 283-389-1
• SMILES: C(C(OCCCCCCCCCCCC\C=C\CCCCCCCC)=O)CCCCCCCCCC\C=C\CCCCCCCC
• InChI: 1S/C44H84O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-43H2,1-2H3/b19-17+,20-18+
• InChIKey: BZUVPTAFNJMPEZ-XPWSMXQVSA-N

Properties

• Density: 0.865g/cm³ (Cal.)
• Boiling point: 668.084°C at 760 mmHg (Cal.)
• Flash point: 15.341°C (Cal.)