16-(1-Pyrenyl)hexadecanoic acid
[CAS# 90936-84-8]

Identification

• Name: 16-(1-Pyrenyl)hexadecanoic acid
• Synonyms: 1-Pyrenehexadecanoicacid
• Molecular Formula: C₃₂H₄₀O₂
• Molecular Weight: 456.66
• CAS Registry Number: 90936-84-8
• SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCCCCCCCCCCCCCC(=O)O
• InChI: 1S/C32H40O2/c33-30(34)18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-25-19-20-28-22-21-26-16-14-17-27-23-24-29(25)32(28)31(26)27/h14,16-17,19-24H,1-13,15,18H2,(H,33,34)
• InChIKey: GFKRJCFRTYVQSF-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 631.5±24.0°C at 760 mmHg (Cal.)
• Flash point: 527.6±18.0°C (Cal.)

References

• (1): Hiroshi Uji-i, Masahito Yoshidome, Jonathan Hobley, Koji Hatanaka and Hiroshi Fukumura. Structural variations in self-assembled monolayers of 1-pyrenehexadecanoic acid and 4,4'-bipyridyl on graphite at the liquid–solid interface, Phys. Chem. Chem. Phys., 2003, 5, 4231.