Hexestrol Dicaprylate
[CAS# 20305-51-5]

Identification

• Name: Hexestrol Dicaprylate
• Synonyms: [4-[1-Ethyl-2-(4-Octanoyloxyphenyl)Butyl]Phenyl] Octanoate; Octanoic Acid [4-[1-Ethyl-2-[4-(1-Oxooctoxy)Phenyl]Butyl]Phenyl] Ester; Caprylic Acid [4-[2-(4-Caprylyloxyphenyl)-1-Ethyl-Butyl]Phenyl] Ester
• Molecular Formula: C₃₄H₅₀O₄
• Molecular Weight: 522.77
• CAS Registry Number: 20305-51-5
• SMILES: C2=C(C(C(C1=CC=C(OC(CCCCCCC)=O)C=C1)CC)CC)C=CC(=C2)OC(CCCCCCC)=O
• InChI: 1S/C34H50O4/c1-5-9-11-13-15-17-33(35)37-29-23-19-27(20-24-29)31(7-3)32(8-4)28-21-25-30(26-22-28)38-34(36)18-16-14-12-10-6-2/h19-26,31-32H,5-18H2,1-4H3
• InChIKey: JZMCTYYCJNIOBO-UHFFFAOYSA-N

Properties

• Density: 0.998g/cm³ (Cal.)
• Boiling point: 587.462°C at 760 mmHg (Cal.)
• Flash point: 281.264°C (Cal.)