Estrone

About This Item

Molecular Formula	C₁₈H₂₂O₂
CAS Number	53-16-7

FC-0274788

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Properties

Chemical Identifiers

IUPAC Name	(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)O
InChI Key	DNXHEGUUPJUMQT-CBZIJGRNSA-N
InChI	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1

Physical Properties

Boiling Point	445.2 °C
Melting Point	489.2 °F
Flash Point	189.7±21.3 °C
Density	1.236 g/cu cm at 25 °C

Safety Information

Hazard Class

Danger

Flash Point

189.7±21.3 °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.