Isotretinoin

About This Item

Molecular Formula	C₂₀H₂₈O₂
CAS Number	4759-48-2

FC-0802968

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Properties

Chemical Identifiers

IUPAC Name	(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
SMILES	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
InChI Key	SHGAZHPCJJPHSC-XFYACQKRSA-N
InChI	InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14-

Physical Properties

Boiling Point	462.8
Melting Point	372 to 374 °F (NTP, 1992)
Flash Point	350.6±11.0 °C
Density	1.0±0.1 g/cm3

Safety Information

Hazard Class

Danger

Flash Point

350.6±11.0 °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.