03416
Thymoquinone
analytical standard
Synonym(s):
2-Isopropyl-5-methyl-1,4-benzoquinone
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About This Item
Empirical Formula (Hill Notation):
C10H12O2
CAS Number:
Molecular Weight:
164.20
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
85151701
EC Number:
207-721-1
MDL number:
grade
analytical standard
Quality Level
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
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).
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signalword
Warning
hcodes
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
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