Calcium (9Z,12Z,15Z)-9,12,15-Octadecatrienoate
[CAS# 22333-90-0]

Identification

• Name: Calcium (9Z,12Z,15Z)-9,12,15-Octadecatrienoate
• Synonyms: Calcium (9Z,12Z,15Z)-9,12,15-Octadecatrienoate
• Molecular Formula: C₁₈H₂₉CaO₂
• Molecular Weight: 317.51
• CAS Registry Number: 22333-90-0
• EINECS: 244-919-7
• SMILES: C(C([O-])=O)CCCCCC\C=C\C\C=C\C\C=C\CC.[Ca++]
• InChI: 1S/C18H30O2.Ca/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);/q;+2/p-1/b4-3+,7-6+,10-9+
• InChIKey: URPOYURDCLCHHB-ICUOVBAUSA-M

Properties

• Boiling point: 443.4°C at 760 mmHg (Cal.)
• Flash point: 275.7°C (Cal.)