(2E)-4-Hydroperoxy-2-nonenal
[CAS# 7439-43-2]

Identification

• Name: (2E)-4-Hydroperoxy-2-nonenal
• Synonyms: 2-Nonenal, 4-hydroperoxy-; 4-hydroperoxy 2-Nonenal; 4-hydroperoxy-2E-nonenal
• Molecular Formula: C₉H₁₆O₃
• Molecular Weight: 172.22
• CAS Registry Number: 7439-43-2
• SMILES: O=C/C=C/C(OO)CCCCC
• InChI: 1S/C9H16O3/c1-2-3-4-6-9(12-11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
• InChIKey: TVNYLRYVAZWBEH-FNORWQNLSA-N

Properties

• Density: 1g/cm³ (Cal.)
• Boiling point: 316.649°C at 760 mmHg (Cal.)
• Flash point: 123.31°C (Cal.)

References

• (1): Arnold Nola Onyango and Naomichi Baba. A non-radical mechanism for the rearrangement of linoleic acid dihydroperoxides, New J. Chem., 2009, 33, 1635.