1-Methylheptyl (S)-4-[4-(Hexyloxy)Benzoyl]Benzoate
[CAS# 65242-72-0]

Identification

• Name: 1-Methylheptyl (S)-4-[4-(Hexyloxy)Benzoyl]Benzoate
• Synonyms: [(1S)-1-Methylheptyl] 4-(4-Hexoxybenzoyl)Benzoate; 4-[(4-Hexoxyphenyl)-Oxomethyl]Benzoic Acid [(1S)-1-Methylheptyl] Ester; 4-(4-Hexoxybenzoyl)Benzoic Acid [(1S)-1-Methylheptyl] Ester
• Molecular Formula: C₂₈H₃₈O₄
• Molecular Weight: 438.61
• CAS Registry Number: 65242-72-0
• EINECS: 265-653-8
• SMILES: [C@@H](OC(C2=CC=C(C(C1=CC=C(C=C1)OCCCCCC)=O)C=C2)=O)(CCCCCC)C
• InChI: 1S/C28H38O4/c1-4-6-8-10-12-22(3)32-28(30)25-15-13-23(14-16-25)27(29)24-17-19-26(20-18-24)31-21-11-9-7-5-2/h13-20,22H,4-12,21H2,1-3H3/t22-/m0/s1
• InChIKey: ATPGHKPPEFHGKX-QFIPXVFZSA-N

Properties

• Density: 1.025g/cm³ (Cal.)
• Boiling point: 556.08°C at 760 mmHg (Cal.)
• Flash point: 234.696°C (Cal.)