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
• 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: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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