274666

Thymoquinone

≥98%

• Synonym(s): 2-Isopropyl-5-methyl-1,4-benzoquinone
• Empirical Formula (Hill Notation): C₁₀H₁₂O₂
• CAS Number: 490-91-5
• Molecular Weight: 164.20
• EC Number: 207-721-1
• MDL number: MFCD00001602
• UNSPSC Code: 12171500
• PubChem Substance ID: 24856596
• NACRES: NA.47

Properties

• Assay: ≥98%
• form: solid
• technique(s): titration: suitable
• color: yellow
• bp: 230-232 °C (lit.)
• mp: 45-47 °C (lit.)
• application(s): diagnostic assay manufacturing; hematology; histology
• storage temp.: room temp
• SMILES string: CC(C)C1=CC(=O)C(C)=CC1=O
• 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

Description

General description

Thymoquinone (TQ), also known as 2-isopropyl-5-methyl-1, 4-benzoquinone, is present in a crystalline triclinic form. It is the bioactive constituent of the volatile oil of black seed. TQ exhibits anti-inflammatory, antioxidant and anti-neoplastic effects both in vitro and in vivo.

Application

Thymoquinone has been used as an inhibitor of Escherichia coli ATP synthase and cell growth. It is also used as a drug against lower limb ischemia-reperfusion injury of the sciatic nerve and femoral muscle.
Thymoquinone is employed in preclinical studies as a neuroprotective and anticonvulsant agent.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302,H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 219.2 °F - closed cup
• Flash Point(C): 104 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves