4-Pentylbenzoic Acid 4-(Heptyloxy)Phenyl Ester
[CAS# 50802-53-4]

Identification

• Name: 4-Pentylbenzoic Acid 4-(Heptyloxy)Phenyl Ester
• Synonyms: 4-Pentylbenzoic Acid (4-Heptoxyphenyl) Ester; 4-Amylbenzoic Acid (4-Heptoxyphenyl) Ester; 4-N-Heptyloxyphenol 4-N-Pentylbenzoate
• Molecular Formula: C₂₅H₃₄O₃
• Molecular Weight: 382.54
• CAS Registry Number: 50802-53-4
• SMILES: C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)OCCCCCCC)CCCCC
• InChI: 1S/C25H34O3/c1-3-5-7-8-10-20-27-23-16-18-24(19-17-23)28-25(26)22-14-12-21(13-15-22)11-9-6-4-2/h12-19H,3-11,20H2,1-2H3
• InChIKey: WZNRFIHLJAONQM-UHFFFAOYSA-N

Properties

• Density: 1.011g/cm³ (Cal.)
• Boiling point: 503.633°C at 760 mmHg (Cal.)
• Flash point: 218.094°C (Cal.)