Tangeretin

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tangeretin structural formula

Structural formula

Business number 052A
Molecular formula C20H20O7
Molecular weight 372.37
label

Hesperetin,

5,6,7,8,4′-Pentamethoxyflavone,

5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyrone

Numbering system

CAS number:481-53-8

MDL number:MFCD00017438

EINECS number:207-570-1

RTECS number:DJ3102725

BRN number:None

PubChem ID:None

Physical property data

1. Character: Undetermined


2. Density (g/ m3,25/4): Undetermined


3. Relative steam Density (g/cm3,AIR=1): Undetermined


4. Melting point (ºC): Undetermined


5. Boiling point (ºC,Normal pressure): Undetermined


6. Boiling point (ºC,5.2kPa): Undetermined


7. Refractive index: Undetermined


8. Flash Point (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


10. Autoignition point or ignition temperature (ºC): Undetermined


11. Vapor pressure (kPa,25ºC): Undetermined


12. Saturated vapor pressure (kPa,60ºC): Undetermined


13. Heat of combustion (KJ/mol): Undetermined


14. Critical temperature (ºC): Undetermined


15. Critical pressure (KPa): Undetermined


16. Oil and water (octanol/Log value of water) partition coefficient: Undetermined


17. Explosion limit (%,V/V): Undetermined


18. Lower explosion limit (%,V/V): Undetermined


19. Solubility: Undetermined

Toxicological data

Acute toxicity: Rat intraperitoneal LD50: >1gm/kg, No details other than lethal dose;

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1 Molar refractive index:97.59


2 Molar volumem3/mol)299.2


3 Isotonic specific volume (90.2K):768.8


4 Surface tensiondyne/cm43.5


5 Polarizability(10-24cm338.69

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 72.4

7. Number of heavy atoms: 27

8. Surface charge: 0

9. Complexity: 540

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

None yet

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