4'-Pentyl[1,1'-Biphenyl]-4-Yl 4-Butylbenzoate
[CAS# 59748-34-4]

Identification

• Name: 4'-Pentyl[1,1'-Biphenyl]-4-Yl 4-Butylbenzoate
• Synonyms: 4-Butylbenzoic Acid [4-(4-Pentylphenyl)Phenyl] Ester; 4-Butylbenzoic Acid [4-(4-Amylphenyl)Phenyl] Ester; Benzoic Acid, 4-Butyl-, 4'-Pentyl(1,1'-Biphenyl)-4-Yl Ester
• Molecular Formula: C₂₈H₃₂O₂
• Molecular Weight: 400.56
• CAS Registry Number: 59748-34-4
• EINECS: 261-910-3
• SMILES: C1=C(C=CC(=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)CCCCC
• InChI: 1S/C28H32O2/c1-3-5-7-9-23-10-14-24(15-11-23)25-18-20-27(21-19-25)30-28(29)26-16-12-22(13-17-26)8-6-4-2/h10-21H,3-9H2,1-2H3
• InChIKey: MYVSMQJGGRPENO-UHFFFAOYSA-N

Properties

• Density: 1.037g/cm³ (Cal.)
• Boiling point: 536.564°C at 760 mmHg (Cal.)
• Flash point: 226.669°C (Cal.)