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Merck

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:
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

Key Documents

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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

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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.

pictograms

Exclamation mark
GHS07

signalword

Warning

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCN6167
BCCL7097
BCCJ7505
BCCF7421
BCCC9395

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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)
Mustafa Sagit et al.
American journal of otolaryngology, 35(5), 603-609 (2014-08-05)
To investigate the potential protective effect of thymoquinone in gentamicin-induced ototoxicity through auditory brain stem responses (ABR) testing and histomorphological evaluation of the cochlea. This study was conducted on 48 adult female Sprague-Dawley rats that were randomized into 4 groups.
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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