Enterodiol
[CAS# 80226-00-2]

Identification

• Name: Enterodiol
• Synonyms: (2R,3R)-2,3-Bis(3-Hydroxybenzyl)Butane-1,4-Diol; Enterodiol; Arbo 9
• Molecular Formula: C₁₈H₂₂O₄
• Molecular Weight: 302.37
• CAS Registry Number: 80226-00-2
• SMILES: [C@H]([C@@H](CC1=CC=CC(=C1)O)CO)(CC2=CC=CC(=C2)O)CO
• InChI: 1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1
• InChIKey: DWONJCNDULPHLV-HOTGVXAUSA-N

Properties

• Density: 1.251g/cm³ (Cal.)
• Boiling point: 554.881°C at 760 mmHg (Cal.)
• Flash point: 262.485°C (Cal.)

References

• (1): Jinguo Kang and William E. Price. Occurrence of phytoestrogens in municipal wastewater and surface waters, J. Environ. Monit., 2009, 11, 1477.