Quercetin

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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.