Dimethylstilbestrol
[CAS# 13366-36-4]

Identification

• Name: Dimethylstilbestrol
• Synonyms: 4-[3-(4-Hydroxyphenyl)But-2-En-2-Yl]Phenol; 4-[(E)-2-(4-Hydroxyphenyl)-1-Methyl-Prop-1-Enyl]Phenol; 4-[2-(4-Hydroxyphenyl)-1-Methyl-Prop-1-Enyl]Phenol
• Molecular Formula: C₁₆H₁₆O₂
• Molecular Weight: 240.30
• CAS Registry Number: 13366-36-4 (552-80-7)
• SMILES: C2=C(C(=C(C1=CC=C(O)C=C1)\C)/C)C=CC(=C2)O
• InChI: 1S/C16H16O2/c1-11(13-3-7-15(17)8-4-13)12(2)14-5-9-16(18)10-6-14/h3-10,17-18H,1-2H3/b12-11+
• InChIKey: XPINIPXARSNZDM-VAWYXSNFSA-N

Properties

• Density: 1.148g/cm³ (Cal.)
• Boiling point: 380.987°C at 760 mmHg (Cal.)
• Flash point: 178.751°C (Cal.)