Thymoquinone
SIAL/03416 - analytical standard
Synonym: 2-
CAS Number: 490-91-5
Empirical Formula (Hill Notation): C10H12O2
Molecular Weight: 164.20
EC Number: 207-721-1
MDL Number: MFCD00001602
Linear Formula: C10H12O2
Product Type: Chemical
| application(s) | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| assay | ≥98.5% (GC) |
| bp | 230-232 °C (lit.) |
| format | neat |
| grade | analytical standard |
| InChI | 1S/C10H12O2/c1-6(2)8-5-9( |
| InChI key | KEQHJBNSCLWCAE-UHFFFAOYSA |
| mp | 45-47 °C (lit.) |
| Quality Level | 100  |
| shelf life | limited shelf life, expiry date on the label |
| SMILES string | CC(C)C1=CC(=O)C(C)=CC1=O |
| technique(s) | gas chromatography (GC): suitable |
| HPLC: suitable |
| 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. |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302 - H315 - H319 - H335 |
| Precautionary statements | P301 + P312 + P330 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xn |
| Risk Statements | 22-36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 219.2 °F - closed cup |
| Flash Point(C) | 104 °C - closed cup |
| Purity | ≥98.5% (GC) |
| bp | 230-232 °C (lit.) |
| mp | 45-47 °C (lit.) |
| UNSPSC | 85151701 |