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03416

Supelco

Thymoquinone

analytical standard

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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:
85151701
PubChem Substance ID:
329747625
NACRES:
NA.24

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

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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).

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H315,H319,H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Stability-indicating ultra-performance liquid chromatography method for the estimation of thymoquinone and its application in biopharmaceutical studies.
Pathan, et al.
Biomedical Chromatography, 25(5), 613-620 (2011)
Gas chromatography mass spectral analysis of free and glycosidically bound volatile compounds from Juniperus oxycedrus L. growing wild in Croatia.
Milos, et al.
Food Chemistry, 68(3), 333-338 (2000)
Validated high-performance thin-layer chromatographic method for the quantification of thymoquinone in Nigella Sativa extracts and formulations.
Velho-Pereira, et al.
Phytochemical Analysis, 22(4), 367-373 (2011)
Gas chromatography-mass spectrometry analysis of free and glycoconjugated aroma compounds of seasonally collected Satureja montana L..
Mastelic, et al.
Food Chemistry, 80(1), 135-140 (2003)
Derya Karabulut et al.
Journal of biochemical and molecular toxicology, 35(1), e22618-e22618 (2020-08-30)
Contrary to the fact that doxorubicin is a powerful chemotherapeutic agent for the treatment of neoplastic diseases, cardiotoxicity is too important to be ignored. Thymoquinone serves as a powerful free radical scavenger. In the study, the effects of thymoquinone against
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