4-Pentylphenyl 4'-Heptyl[1,1'-Biphenyl]-4-Carboxylate
[CAS# 61733-23-1]

Identification

• Name: 4-Pentylphenyl 4'-Heptyl[1,1'-Biphenyl]-4-Carboxylate
• Synonyms: 4-(4-Heptylphenyl)Benzoic Acid (4-Pentylphenyl) Ester; 4-(4-Heptylphenyl)Benzoic Acid (4-Amylphenyl) Ester; 4-Pentylphenyl 4'-Heptyl(1,1'-Biphenyl)-4-Carboxylate
• Molecular Formula: C₃₁H₃₈O₂
• Molecular Weight: 442.64
• CAS Registry Number: 61733-23-1
• EINECS: 262-941-5
• SMILES: C1=CC(=CC=C1C(OC2=CC=C(C=C2)CCCCC)=O)C3=CC=C(C=C3)CCCCCCC
• InChI: 1S/C31H38O2/c1-3-5-7-8-10-12-25-13-17-27(18-14-25)28-19-21-29(22-20-28)31(32)33-30-23-15-26(16-24-30)11-9-6-4-2/h13-24H,3-12H2,1-2H3
• InChIKey: PDQIXOGFLRWAKG-UHFFFAOYSA-N

Properties

• Density: 1.016g/cm³ (Cal.)
• Boiling point: 569.495°C at 760 mmHg (Cal.)
• Flash point: 239.932°C (Cal.)