Structural formula
| Business number | 0391 |
|---|---|
| Molecular formula | C15H10O7 |
| Molecular weight | 302.24 |
| label |
Ponderone, quercetone, Rutin decomposition products, 3, 5, 7, 3′, 4′pentahydroxyflavone, Quercetin; Rutin decomposed products2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3′,4′,5,6-Pentahydroxyflavone, inhibitors, Antioxidants, food additives |
Numbering system
CAS number:117-39-5
MDL number:MFCD00006828
EINECS number:None
RTECS number:LK8750000
BRN number:317313
PubChem number:24860398
Physical property data
1. Properties: White or light yellow needle-like crystals, stable to heat, with a decomposition temperature above 314°C. Oxidation in the air can cause the color to deepen and change color when exposed to Fe3+ 2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 314-317
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, KPa): Undetermined Determined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, ºC): Undetermined
12. Saturation Vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (% , V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Slightly soluble in water, easily soluble in alkali aqueous solution.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 73.31
2. Molar volume (cm3/mol): 167.9
3. Isotonic specific volume (90.2K): 549.9
4. Surface tension (dyne/cm): 114.8
5. Polarizability (10-24cm3): 29.06
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 5
3. Number of hydrogen bond acceptors: 7
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 435
6. Topological molecule polar surface area 127
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 488
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Quercetin has anti-free radical, antioxidant, antibacterial, antiviral and other effects.
Storage method
Brown glass bottle with light-sealed packaging. Store in a cool and dark place.
Synthesis method
1. Quercetin and its derivatives are widely present in various vegetables and fruits and are derivatives of flavonoids. It can be obtained from the Liliaceae plant onion and other plant extracts such as rutin, quercetin, isobasidin, anisin, astroside, and wintersweet.
Purpose
1. Can be used as food stabilizer and antioxidant.
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