cafestol

About This Item

Molecular Formula	C₂₀H₂₈O₃
CAS Number	469-83-0

FC-0922501

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Properties

Chemical Identifiers

IUPAC Name	(1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-17-ol
SMILES	CC12CCC3=C(C1CCC45C2CCC(C4)C(C5)(CO)O)C=CO3
InChI Key	DNJVYWXIDISQRD-HWUKTEKMSA-N

Physical Properties

Boiling Point	468.6±45.0 °C at 760 mmHg
Melting Point	160-162ºC (with decomposition) (ethyl ether pentane )
Flash Point	237.2±28.7 °C
Density	1.2±0.1 g/cm3

Safety Information

Flash Point

237.2±28.7 °C

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.