Thymoquinone structure, CAS 490-91-5

Thymoquinone

CAS Number490-91-5

Synonyms5-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; 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-isopropyl-5-methyl-p-benzoquinone; 2-methyl-5-isopropyl-1,4-benzoquinone; p-Mentha-3,6-diene-2,5-dione; EINECS 207-721-1

Molecular FormulaC10H12O2

Molecular Weight164.201

Purity

Density1.1±0.1 g/cm3

Boiling Point232.0±15.0 °C at 760 mmHg

Melting Point167 ºC

Flash Point

AppearanceSolid;Light yellow to Brown powder to crystal

EINECS

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Cat. No.: 2A-9063895 Purity:
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Quality Control of [ 490-91-5 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number490-91-5
Catalog No.2A-9063895
Chinese Name百里醌
Synonyms5-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; 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-isopropyl-5-methyl-p-benzoquinone; 2-methyl-5-isopropyl-1,4-benzoquinone; p-Mentha-3,6-diene-2,5-dione; EINECS 207-721-1
Molecular FormulaC10H12O2
Molecular Weight164.201
Density1.1±0.1 g/cm3
Boiling Point232.0±15.0 °C at 760 mmHg
Melting Point167 ºC
AppearanceSolid;Light yellow to Brown powder to crystal
Water SolubilityVery slightly soluble (0.82 g/L) (25 ºC)
Storage ConditionUse and store according to specifications, will no
ApplicationThymoquinone is a natural product isolated from N. sativa. Thymoquinone has antioxidant, anti-inflammatory, anti-cancer, anti-tumor activity and hepatoprotective effects.
HTC2914690090
SMILESCC1=CC(=O)C(C(C)C)=CC1=O
InChIInChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChI KeyKEQHJBNSCLWCAE-UHFFFAOYSA-N
Hazard Symbolstransportation
BioactivityThymoquinone is a nature product isolated from N. sativa. Thymoquinone possess antioxidant, anti-inflammatory, anti-cancer, antitumor activities and hepatoprotective properties[1]. Related Catalog Signaling Pathways >> Others >> Others Research Areas >> Inflammation/Immunology 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 InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N SMILES CC1=CC(=O)C(C(C)C)=CC1=O Storage condition 2~8°C Water Solubility Very slightly soluble (0.82 g/L) (25 ºC)
Use ofThymoquinone is a nature product isolated from N. sativa. Thymoquinone possess antioxidant, anti-inflammatory, anti-cancer, antitumor activities and hepatoprotective properties[1]. Properties Articles56 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 Signaling Pathways >> Others >> Others Research Areas >> Inflammation/Immunology 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 Molecular Formula C10H12O2 Exact Mass 164.083725 PSA 34.14000 Index of Refraction 1.505 InChIKey KEQHJBNSCLWCAE-UHFFFAOYSA-N SMILES CC1=CC(=O)C(C(C)C)=CC1=O
Tax Rebate9.0%
SupervisionNone MFN tariff: 5.5% Ordinary tariff: 30.0%
Transport InfoProduct name: Purity: 99.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: No dangerous goods IMDG Code: No dangerous goods International Air Transport Dangerous Regulations: No dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special precautions for users No data available The company is not responsible for any damage caused by any operation or contact with the above products. For more terms of use, see invoice or package The reverse side of the mounting strip.
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