Equol

About This Item

Molecular Formula	C₁₅H₁₄O₃
CAS Number	531-95-3
Appearance	Solid

FC-0810091

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Properties

Chemical Identifiers

IUPAC Name	(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILES	C1[C@H](COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
InChI Key	ADFCQWZHKCXPAJ-GFCCVEGCSA-N
InChI	InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1

Physical Properties

Boiling Point	441.7±45.0 °C at 760 mmHg
Melting Point	189.5 °C
Flash Point	220.9±28.7 °C
Density	1.3±0.1 g/cm3

Safety Information

Flash Point

220.9±28.7 °C

Control Level

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.