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AURAPTENE structure, CAS 495-02-3

AURAPTENE

CAS Number495-02-3

SynonymsAuraptene; 7-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-2H-chromen-2-one; 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-2H-1-benzopyran-2-one 7-Geranyloxycoumarin Aurapten; 7-{[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one; 7-Geranyloxycoumarin; 7-{[(2E)-3,7-Diméthyl-2,6-octadièn-1-yl]oxy}-2H-chromén-2-one; aurapten

Molecular FormulaC19H22O3

Molecular Weight298.38

Purity

Density1.1±0.1 g/cm3

Boiling Point455.5±45.0 °C at 760 mmHg

Melting Point66 °C

Flash Point

Appearancewhite to off-white

EINECS

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Symboltransportation

Signal WordWarning

Cat. No.: 2A-1189965 Purity:
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Quality Control of [ 495-02-3 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number495-02-3
Catalog No.2A-1189965
Chinese Name橙皮油内酯
SynonymsAuraptene; 7-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-2H-chromen-2-one; 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-2H-1-benzopyran-2-one 7-Geranyloxycoumarin Aurapten; 7-{[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one; 7-Geranyloxycoumarin; 7-{[(2E)-3,7-Diméthyl-2,6-octadièn-1-yl]oxy}-2H-chromén-2-one; aurapten
Molecular FormulaC19H22O3
Molecular Weight298.38
Density1.1±0.1 g/cm3
Boiling Point455.5±45.0 °C at 760 mmHg
Melting Point66 °C
Appearancewhite to off-white
Water SolubilityDMSO: >20mg/mL
Storage ConditionStore sealed and placed in a ventilated, dry envir
ApplicationAuraptene is the most abundant natural geranoxycoumarin. Auraptene is mainly isolated from plants in the Rutaceae family, such as citrus fruits. Auraptene reduces the secretion of matrix metalloprotei
PubChem ID329771062
MDL NumberMFCD00075948
SMILESCC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+
InChI KeyRSDDHGSKLOSQFK-RVDMUPIBSA-N
NACRES CodeNA.77
UNSPSC12352200
Hazard Symbolstransportation
BioactivityAuraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene is primarily isolated from plants in the Rutaceae family, such as citrus fruits. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1]. Related Catalog Research Areas >> Inflammation/Immunology Signaling Pathways >> Metabolic Enzyme/Protease >> MMP Target MMP-2 References [1]. La VD, et al. Anti-inflammatory and wound healing potential of citrus auraptene. J Med Food. 2013 Oct;16(10):961-4. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 455.5±45.0 °C at 760 mmHg Melting Point 66 °C Molecular Formula C19H22O3 Molecular Weight 298.376 Flash Point 195.4±23.3 °C Exact Mass 298.156891 PSA 39.44000 LogP 5.69 Appearance of Characters white to off-white Vapour Pressure 0.0±1.1 mmHg at 25°C Index of Refraction 1.549 InChIKey RSDDHGSKLOSQFK-RVDMUPIBSA-N SMILES CC(C)=CCCC(C)=CCOc1ccc2ccc(=O)oc2c1 Storage condition ?20°C Water Solubility DMSO: >20mg/mL
Use ofAuraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene is primarily isolated from plants in the Rutaceae family, such as citrus fruits. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1]. Properties Articles23 Name auraptene Synonym More Synonyms Auraptene Biological Activity Description Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene is primarily isolated from plants in the Rutaceae family, such as citrus fruits. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1]. Related Catalog Research Areas >> Inflammation/Immunology Signaling Pathways >> Metabolic Enzyme/Protease >> MMP References [1]. La VD, et al. Anti-inflammatory and wound healing potential of citrus auraptene. J Med Food. 2013 Oct;16(10):961-4. Chemical & Physical Properties Molecular Formula C19H22O3 Exact Mass 298.156891 PSA 39.44000 Appearance of Characters white to off-white Index of Refraction 1.549 InChIKey RSDDHGSKLOSQFK-RVDMUPIBSA-N
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods 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: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-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 reminder to users No data available See reverse side of invoice or packing slip.
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