(E)-2-Heptyl-12-Oxohenicos-13-Enoic Acid
[CAS# 102791-31-1]

Identification

• Name: (E)-2-Heptyl-12-Oxohenicos-13-Enoic Acid
• Synonyms: (E)-2-Heptyl-12-Oxo-Henicos-13-Enoic Acid; (E)-2-Heptyl-12-Keto-Henicos-13-Enoic Acid; Ficulinic Acid B
• Molecular Formula: C₂₈H₅₂O₃
• Molecular Weight: 436.72
• CAS Registry Number: 102791-31-1
• SMILES: C(C(C(=O)O)CCCCCCC)CCCCCCCCC(=O)\C=C\CCCCCCC
• InChI: 1S/C28H52O3/c1-3-5-7-9-11-16-20-24-27(29)25-21-17-13-10-12-15-19-23-26(28(30)31)22-18-14-8-6-4-2/h20,24,26H,3-19,21-23,25H2,1-2H3,(H,30,31)/b24-20+
• InChIKey: LMKTZOYZOYTOMH-HIXSDJFHSA-N

Properties

• Density: 0.917g/cm³ (Cal.)
• Boiling point: 559°C at 760 mmHg (Cal.)
• Flash point: 305.928°C (Cal.)