Oct-4-Enedioic Acid
[CAS# 14277-16-8]

Identification

• Name: Oct-4-Enedioic Acid
• Synonyms: (E)-Oct-4-Enedioic Acid
• Molecular Formula: C₈H₁₂O₄
• Molecular Weight: 172.18
• CAS Registry Number: 14277-16-8
• EINECS: 238-171-0
• SMILES: C(C(=O)O)C\C=C\CCC(=O)O
• InChI: 1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1+
• InChIKey: LQVYKEXVMZXOAH-OWOJBTEDSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 373.11°C at 760 mmHg (Cal.)
• Flash point: 193.63°C (Cal.)

References

• (1): V. Bussien Gaillard, W. Paciorek, K. Schenk and G. Chapuis. Hexamethylenetetramine suberate, a strongly anharmonic modulated structure, Acta Cryst. (1996). B52, 1036-1047