Estradiol 3-Propyl Ether
[CAS# 22034-63-5]

Identification

• Name: Estradiol 3-Propyl Ether
• Synonyms: Estradiol 3-Propyl Ether; 3-Propoxyestra-1,3,5(10)-Trien-17Beta-Ol
• Molecular Formula: C₂₁H₃₀O₂
• Molecular Weight: 314.47
• CAS Registry Number: 22034-63-5
• SMILES: [C@@H]23C1=CC=C(C=C1CC[C@H]2[C@H]4[C@](CC3)([C@H](CC4)O)C)OCCC
• InChI: 1S/C21H30O2/c1-3-12-23-15-5-7-16-14(13-15)4-6-18-17(16)10-11-21(2)19(18)8-9-20(21)22/h5,7,13,17-20,22H,3-4,6,8-12H2,1-2H3/t17-,18-,19+,20+,21+/m1/s1
• InChIKey: OKWLCMYNQNHQSR-MJCUULBUSA-N

Properties

• Density: 1.08g/cm³ (Cal.)
• Boiling point: 453.482°C at 760 mmHg (Cal.)
• Flash point: 195.867°C (Cal.)