Methyl 4-Heptylbenzoate
[CAS# 68109-90-0]

Identification

• Name: Methyl 4-Heptylbenzoate
• Synonyms: 4-Heptylbenzoic Acid Methyl Ester; Methyl P-Heptylbenzoate
• Molecular Formula: C₁₅H₂₂O₂
• Molecular Weight: 234.34
• CAS Registry Number: 68109-90-0
• EINECS: 268-501-9
• SMILES: C1=C(C=CC(=C1)CCCCCCC)C(=O)OC
• InChI: 1S/C15H22O2/c1-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17-2/h9-12H,3-8H2,1-2H3
• InChIKey: VSXNZWYZIJDUSW-UHFFFAOYSA-N

Properties

• Density: 0.966g/cm³ (Cal.)
• Boiling point: 324.896°C at 760 mmHg (Cal.)
• Flash point: 145.298°C (Cal.)

References

• (1): Barluenga et al.. A metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones, Nature Chemistry, 2009