Thymoquinone

• CAS: 490-91-5
• Catalog Number: ACM490915
• Category: Other Products
• Molecular Weight: 164.2
• Molecular Formula: C10H12O2
• Synonyms: 5-Isopropyl-2-methyl-p-benzoquinone
• 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: InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
• InChI Key: KEQHJBNSCLWCAE-UHFFFAOYSA-N
• Boiling Point: 230-232 °C(lit.)
• Melting Point: 45-47 °C(lit.)
• Flash Point: 219 °F
• Density: 1.0326 g/cm³
• Appearance: Solid
• Storage: Sealed in dry, room temperature
• Complexity: 293
• Exact Mass: 164.083729621
• Monoisotopic Mass: 164.083729621
• Refractive Index: 1.5155
• Topological Polar Surface Area: 34.1 Ų