Dienestrol
[CAS# 13029-44-2]

Identification

• Name: Dienestrol
• Synonyms: 4-[(4E)-4-(4-Hydroxyphenyl)Hexa-2,4-Dien-3-Yl]Phenol; 4-[4-(4-Hydroxyphenyl)Hexa-2,4-Dien-3-Yl]Phenol; 4-[(E,1E)-1-Ethylidene-2-(4-Hydroxyphenyl)But-2-Enyl]Phenol
• Molecular Formula: C₁₈H₁₈O₂
• Molecular Weight: 266.34
• CAS Registry Number: 13029-44-2
• SMILES: C2=C(C(/C(C1=CC=C(O)C=C1)=C/C)=C\C)C=CC(=C2)O
• InChI: 1S/C18H18O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h3-12,19-20H,1-2H3/b17-3+,18-4+
• InChIKey: NFDFQCUYFHCNBW-SCGPFSFSSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 229°C (Expl.)
• Boiling point: 395.4±22.0°C at 760 mmHg (Cal.)
• Flash point: 181.4±16.9°C (Cal.)