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

• Product Name: Thymoquinone, analytical standard
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• InChI key: KEQHJBNSCLWCAE-UHFFFAOYSA-N
• InChI: 1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
• SMILES string: CC(C)C1=CC(=O)C(C)=CC1=O
• grade: analytical standard
• assay: ≥98.5% (GC)
• shelf life: limited shelf life, expiry date on the label
• 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
• Quality Level: 100

Description

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).

General description

Thymoquinone is employed in preclinical studies as neuroprotective and anticonvulsant agent.

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