MilliporeSigma
All Photos(1)

03416

Supelco

Thymoquinone

analytical standard

Synonym(s):
2-Isopropyl-5-methyl-1,4-benzoquinone
Empirical Formula (Hill Notation):
C10H12O2
CAS Number:
Molecular Weight:
164.20
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

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

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Thymoquinone analytical standard

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Thymoquinone

Thymol analytical standard

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72477

Thymol

tert-Butylhydroquinone analytical standard

Supelco

07293

tert-Butylhydroquinone

Thymoquinone ≥98%

Sigma-Aldrich

274666

Thymoquinone

grade

analytical standard

grade

analytical standard

grade

analytical standard

grade

-

assay

≥98.5% (GC)

assay

≥99.9% (GC)

assay

≥98.0% (GC)

assay

≥98%

shelf life

limited shelf life, expiry date on the label

shelf life

limited shelf life, expiry date on the label

shelf life

limited shelf life, expiry date on the label

shelf life

-

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

technique(s)

-

technique(s)

-

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

application(s)

cleaning products
cosmetics
food and beverages
personal care

application(s)

diagnostic assay manufacturing
hematology
histology

format

neat

format

neat

format

neat

format

-

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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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