03416

Thymoquinone

analytical standard

• Synonym(s): 2-Isopropyl-5-methyl-1,4-benzoquinone
• Empirical Formula (Hill Notation): C₁₀H₁₂O₂
• CAS Number: 490-91-5
• Molecular Weight: 164.20
• NACRES: NA.24
• PubChem Substance ID: 329747625
• UNSPSC Code: 85151701
• EC Number: 207-721-1
• MDL number: MFCD00001602

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥98.5% (GC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable, gas chromatography (GC): suitable
• bp: 230-232 °C (lit.)
• mp: 45-47 °C (lit.)
• application(s): cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• format: neat
• 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 is employed in preclinical studies as neuroprotective and anticonvulsant agent.

Application

Thymoquinone has been used as an analytical standard for the determination of thymoquinone in Nigella sativa extracts and formulations by high performance thin layer chromatography (HPTLC). It may be used as a reference standard for the identification of thymoquinone as volatile aglycone in seasonally collected Satureja montana L. and in Juniperus oxycedrus L. by gas chromatography-mass spectrometry (GC-MS).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302,H315,H319,H335
• pcodes: 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: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: 219.2 °F - closed cup
• flash_point_c: 104 °C - closed cup