acacetin

Structural formula

Business number	051X
Molecular formula	C16H12O5
Molecular weight	284.27
label	5,7-Dihydroxy-4′-methoxyflavone

• 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:480-44-4

MDL number:MFCD00016936

EINECS number:207-552-3

RTECS number:DJ3002000

BRN number:277879

PubChem number:24844959

Physical property data

1. Character:Yellow needle-like crystal

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

3. Relative vapor density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC):260-265

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. Saturation 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: Soluble in hot ethanol, insoluble in Ether, soluble in alkali and turns yellow.

Toxicological data

1 , acute toxicity: mice intravenouslyLD50: 933mg/kg, no details except lethal dose;

Unknown pathway of mouse meridianLD50: 933mg/kg, no details except lethal dose;

2, Reproductive toxicity: Rat DOSE Oral TDLo: Female pregnancy 1天后：500mg/kgSEX/DURATION, affecting preimplantation mortality;

3、Mutation data: Microbial organisms TEST Systemic mutations: Bacteria –Salmonella typhimurium:100 ug/plate

Ecological data

Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

Molecular structure data

1、 Molar refractive index:74.64

2、 Molar Volume（m³/mol)：200.1

3、 Isotonic specific volume (90.2K):564.8

4、 Surface tension（dyne/cm)：63.4

5、 Polarizability(10^-24cm³）：29.59

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 12

6. Topological molecule polar surface area 76

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 424

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

Seal and store at 2-8°C in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

Exists in the leguminous plant Robinia(Robinia) [Robinia pseudoacacia L.] in the leaves and in the flower spikes of Bud-dleja officinalis Maxim (Bud-dleja officinalis Maxim).

Purpose

is a natural gum derivative, used in sensitive formulas to tighten and protect the skin. Wrinkle powder/Skin tightening and anti-wrinkle water plays a role in tightening the skin. Acacia is also an economic tree species, and its fragrant flowers can be used to refine aromatic oils as raw materials for high-end perfumes and other cosmetics. The fruit pods, bark and roots contain tannins, which can be used as black dye, and the resin flowing out of the stems contains gum, which is used medicinally. The material is hard and can be used to make valuable utensils.