4'-(2-Methylbutyl)-(1,1'-Biphenyl)-4-Carboxylic Acid 4-(Hexyloxy)Phenyl Ester
[CAS# 81367-71-7]

Identification

• Name: 4'-(2-Methylbutyl)-(1,1'-Biphenyl)-4-Carboxylic Acid 4-(Hexyloxy)Phenyl Ester
• Synonyms: (4-Hexoxyphenyl) 4-[4-[(1R)-1-Methylbutyl]Phenyl]Benzoate; 4-[4-[(1R)-1-Methylbutyl]Phenyl]Benzoic Acid (4-Hexoxyphenyl) Ester; (1,1'-Biphenyl)-4-Carboxylic Acid, 4'-(2-Methylbutyl)-, 4-(Hexyloxy)Phenyl Ester
• Molecular Formula: C₃₀H₃₆O₃
• Molecular Weight: 444.61
• CAS Registry Number: 81367-71-7
• SMILES: [C@H](C3=CC=C(C2=CC=C(C(=O)OC1=CC=C(C=C1)OCCCCCC)C=C2)C=C3)(CCC)C
• InChI: 1S/C30H36O3/c1-4-6-7-8-22-32-28-18-20-29(21-19-28)33-30(31)27-16-14-26(15-17-27)25-12-10-24(11-13-25)23(3)9-5-2/h10-21,23H,4-9,22H2,1-3H3/t23-/m1/s1
• InChIKey: MTNDUQQONLQZBU-HSZRJFAPSA-N

Properties

• Density: 1.039g/cm³ (Cal.)
• Boiling point: 569.137°C at 760 mmHg (Cal.)
• Flash point: 249.039°C (Cal.)