Thymoquinone

About This Item

Molecular Formula	C₁₀H₁₂O₂
CAS Number	490-91-5

FC-0868371

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Properties

Chemical Identifiers

IUPAC Name	2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
SMILES	CC1=CC(=O)C(=CC1=O)C(C)C
InChI Key	KEQHJBNSCLWCAE-UHFFFAOYSA-N
InChI	InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3

Physical Properties

Boiling Point	230.00 to 232.00 °C. @ 760.00 mm Hg
Melting Point	44 - 45 °C
Flash Point	103.9±0.0 °C
Density	1.1±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

103.9±0.0 °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.