[4-[(3R,4S)-4-(4-Acetyloxyphenyl)Hexan-3-Yl]Phenyl] Acetate
[CAS# 4547-76-6]

Identification

• Name: [4-[(3R,4S)-4-(4-Acetyloxyphenyl)Hexan-3-Yl]Phenyl] Acetate
• Synonyms: [4-[(1S,2R)-2-(4-Acetoxyphenyl)-1-Ethyl-Butyl]Phenyl] Acetate; Acetic Acid [4-[(1S,2R)-2-(4-Acetoxyphenyl)-1-Ethylbutyl]Phenyl] Ester; Acetic Acid [4-[(1S,2R)-2-(4-Acetoxyphenyl)-1-Ethyl-Butyl]Phenyl] Ester
• Molecular Formula: C₂₂H₂₆O₄
• Molecular Weight: 354.45
• CAS Registry Number: 4547-76-6
• SMILES: [C@H]([C@H](C1=CC=C(OC(=O)C)C=C1)CC)(C2=CC=C(OC(=O)C)C=C2)CC
• InChI: 1S/C22H26O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h7-14,21-22H,5-6H2,1-4H3/t21-,22+
• InChIKey: GWEREDCWIUZACS-SZPZYZBQSA-N

Properties

• Density: 1.088g/cm³ (Cal.)
• Boiling point: 443.627°C at 760 mmHg (Cal.)
• Flash point: 213.794°C (Cal.)