trans,trans-Muconaldehyde
[CAS# 18409-46-6]

Identification

• Name: trans,trans-Muconaldehyde
• Synonyms: 2,4-Hexadienedial, (E,E)-; (E,E)-2,4-Hexadienedial; (E,E)-Muconaldehyde
• Molecular Formula: C₆H₆O₂
• Molecular Weight: 110.11
• CAS Registry Number: 18409-46-6 (3249-28-3)
• SMILES: O=C/C=C/C=C/C=O
• InChI: 1S/C6H6O2/c7-5-3-1-2-4-6-8/h1-6H/b3-1+,4-2+
• InChIKey: NDCAAPXLWRAESY-ZPUQHVIOSA-N

Properties

• Density: 1.006g/cm³ (Cal.)
• Boiling point: 232.838°C at 760 mmHg (Cal.)
• Flash point: 84.755°C (Cal.)

References

• (1): Torsten Berndt and Olaf Böge. Gas-phase reaction of OH radicals with benzene: products and mechanism, Phys. Chem. Chem. Phys., 2001, 3, 4946.