5-Methyl-2-pentylphenol
[CAS 53043-14-4]

Identification

• Name: 5-Methyl-2-pentylphenol
• Synonyms: 5-Methyl-2-Pentyl-Phenol; 2-Amyl-5-Methyl-Phenol; 3-06-00-02005 (Beilstein Handbook Reference)
• Molecular Formula: C₁₂H₁₈O
• Molecular Weight: 178.27
• CAS Registry Number: 53043-14-4
• SMILES: C1=CC(=CC(=C1CCCCC)O)C
• InChI: 1S/C12H18O/c1-3-4-5-6-11-8-7-10(2)9-12(11)13/h7-9,13H,3-6H2,1-2H3
• InChIKey: CKGWFZQGEQJZIL-UHFFFAOYSA-N

Properties

• Density: 0.956g/cm³ (Cal.)
• Boiling point: 273.215°C at 760 mmHg (Cal.)
• Flash point: 125.288°C (Cal.)

References

• (1): Andrej Maroz, Sujata S. Shinde, Scott G. Franzblau, Zhenkun Ma, William A. Denny, Brian D. Palmer and Robert F. Anderson. Release of nitrite from the antitubercular nitroimidazole drug PA-824 and analogues upon one-electron reduction in protic, non-aqueous solvent, Org. Biomol. Chem., 2010, 8, 413.