Thymoquinone

Modify Date: 2024-01-02 11:44:54

Thymoquinone Structure
Thymoquinone structure
 Common Name Thymoquinone
CAS Number 490-91-5 Molecular Weight 164.201
Density 1.1±0.1 g/cm3 Boiling Point 232.0±15.0 °C at 760 mmHg
Molecular Formula C10H12O2 Melting Point 167 ºC
MSDS Chinese USA Flash Point 103.9±0.0 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Use of Thymoquinone


Thymoquinone is a nature product isolated from N. sativa. Thymoquinone possess antioxidant, anti-inflammatory, anti-cancer, antitumor activities and hepatoprotective properties[1].

 Names

Name 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
Synonym More Synonyms

 Thymoquinone Biological Activity

Description Thymoquinone is a nature product isolated from N. sativa. Thymoquinone possess antioxidant, anti-inflammatory, anti-cancer, antitumor activities and hepatoprotective properties[1].
Related Catalog
References

[1]. Khader M, et al. Thymoquinone: an emerging natural drug with a wide range of medical applications. Iran J Basic Med Sci. 2014 Dec;17(12):950-7.

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 232.0±15.0 °C at 760 mmHg
Melting Point 167 ºC
Molecular Formula C10H12O2
Molecular Weight 164.201
Flash Point 103.9±0.0 °C
Exact Mass 164.083725
PSA 34.14000
LogP 2.33
Vapour Pressure 0.1±0.5 mmHg at 25°C
Index of Refraction 1.505
Storage condition 2~8°C
Water Solubility Very slightly soluble (0.82 g/L) (25 ºC)

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU5330000
CHEMICAL NAME :
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-
CAS REGISTRY NUMBER :
490-91-5
BEILSTEIN REFERENCE NO. :
1939047
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H12-O2
MOLECULAR WEIGHT :
164.22
WISWESSER LINE NOTATION :
L6V DVJ B1 EY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
20 nmol/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 347,37,1995

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn: Harmful;
Risk Phrases R22
Safety Phrases S26-S36
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS GU5330000
HS Code 2914690090

 Customs

HS Code 2914690090
Summary 2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Articles56

More Articles
Thymoquinone Pretreatment Overcomes the Insensitivity and Potentiates the Antitumor Effect of Gemcitabine Through Abrogation of Notch1, PI3K/Akt/mTOR Regulated Signaling Pathways in Pancreatic Cancer.

Dig. Dis. Sci. 60 , 1067-80, (2015)

The gemcitabine-insensitivity remains the main challenge for pancreatic cancer treatment. Thymoquinone, the predominant bioactive ingredient of Nigella sativa, has been shown to possess promising anti...

Thymoquinone restores radiation-induced TGF-β expression and abrogates EMT in chemoradiotherapy of breast cancer cells.

J. Cell Physiol. 230(3) , 620-9, (2015)

Radiotherapy remains a prime approach to adjuvant therapies in patients with early and advanced breast cancer. In spite of therapeutic success, metastatic progression in patients undergoing therapy, l...

Evaluation of Antioxidant and Antibacterial Potentials of Nigella sativa L. Suspension Cultures under Elicitation.

Biomed Res. Int. 2015 , 708691, (2015)

Nigella sativa L. (family Ranunculaceae) is an annual herb of immense medicinal properties because of its major active components (i.e., thymoquinone (TQ), thymohydroquinone (THQ), and thymol (THY)). ...

 Synonyms

5-Isopropyl-2-methyl-1,4-benzoquinone
2-isopropyl-5-methyl-para-benzoquinone
2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5- (1-methylethyl)-
MFCD00001602
p-Cymene-2,5-dione
Thymoquinone
2-Isopropyl-5-methylcyclohexa-2,5-diene-1,4-dione
Thymoquinon
2-Isopropyl-5-methyl-1,4-benzoquinone
2-isopropyl-5-methylbenzo-1,4-quinone
2-Isopropyl-5-methylbenzoquinone
2-Methyl-5-iso-propylbenzoquinone
2,5-Cyclohexadiene-1,4-dione, 2-methyl-5-(1-methylethyl)-
2-isopropyl-5-methyl-p-benzoquinone
2-methyl-5-isopropyl-1,4-benzoquinone
p-Mentha-3,6-diene-2,5-dione
EINECS 207-721-1
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