Structural formula
| Business number | 01HD |
|---|---|
| Molecular formula | C13H16N2O2 |
| Molecular weight | 232.28 |
| label |
melatonin, N-Acetyl-5-methoxytryptamine, N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide, 3-(N-Acetyl-2-aminoethyl)-5-methoxyindole, N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide, whitening cosmetics |
Numbering system
CAS number:73-31-4
MDL number:MFCD00005655
EINECS number:200-797-7
RTECS number:AC5955000
BRN number:205542
PubChem number:24278103
Physical property data
1. Appearance: White or off-white crystalline powder
2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g /mL, air=1): Uncertain
4. Melting point (oC): 116.5-118 (lit.)
5. Boiling point (oC, normal pressure): Uncertain
6. Boiling point (oC, 5.2 kPa): Uncertain
7. Refractive index: Uncertain
8. Flash point (oC): Uncertain
9. Specific rotation (o): Uncertain
10. Autoignition point or ignition temperature (oC): Uncertain
11. Vapor pressure (kPa, 25 oC): Uncertain
12. Saturated vapor pressure (kPa, 60 oC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature (oC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Oil-water (octanol/water) distribution Log value of coefficient: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V): Uncertain
19. Solubility: Uncertain
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 67.64
2. Molar volume (cm3/mol): 197.6
3. Isotonic specific volume (90.2K): 516.5
4. Surface tension (dyne/cm): 46.6
5. Polarizability (10-24cm3): 26.81
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: 2
4. Number of rotatable chemical bonds: 4
5. InterconversionNumber of isomers: 2
6. Topological molecule polar surface area 54.1
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 270
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12 .The number of uncertain atomic stereocenters: 0
13. The number of determined chemical bond stereocenters: 0
14. The uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
Store in a cool and dry place.
Synthesis method
1. Melatonin exists in the pineal gland of the mammalian brain. The general method is to freeze-dry the pineal gland of the bovine brain, grind it into powder, and remove it with petroleum ether. Fat, mix evenly with deionized water to form a slurry. After centrifugation, take the supernatant and extract it with an equal volume of ethyl acetate. The extract is vacuum dried to obtain crude white melatonin, which is then recrystallized. Then you get the best product.
Purpose
1. Mainly used in whitening and moisturizing cosmetics, and also commonly used in hair growth products. The amount added to cosmetics is 0.05%.
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