Hexestrol Dibutyrate
[CAS# 36557-18-3]

Identification

• Name: Hexestrol Dibutyrate
• Synonyms: [4-[2-(4-Butanoyloxyphenyl)-1-Ethyl-Butyl]Phenyl] Butanoate; Butanoic Acid [4-[1-Ethyl-2-[4-(1-Oxobutoxy)Phenyl]Butyl]Phenyl] Ester; Butyric Acid [4-[2-(4-Butyryloxyphenyl)-1-Ethyl-Butyl]Phenyl] Ester
• Molecular Formula: C₂₆H₃₄O₄
• Molecular Weight: 410.55
• CAS Registry Number: 36557-18-3
• EINECS: 253-102-4
• SMILES: C2=C(C(C(C1=CC=C(OC(=O)CCC)C=C1)CC)CC)C=CC(=C2)OC(=O)CCC
• InChI: 1S/C26H34O4/c1-5-9-25(27)29-21-15-11-19(12-16-21)23(7-3)24(8-4)20-13-17-22(18-14-20)30-26(28)10-6-2/h11-18,23-24H,5-10H2,1-4H3
• InChIKey: JTBPVVVYALFNNO-UHFFFAOYSA-N

Properties

• Density: 1.048g/cm³ (Cal.)
• Boiling point: 494.496°C at 760 mmHg (Cal.)
• Flash point: 237.518°C (Cal.)