2,4,6-Trimethylpyridine 2,4,6-Trimethylpyridine

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:108-75-8

MDL number:MFCD00006338

EINECS number:203-613-3

RTECS number:UU0970000

BRN number:107283

PubChem ID:None

Physical property data

1. Appearance: colorless or slightly yellow liquid

2. Density (g/mL, 20/4℃): 0.917

3. Melting point (ºC): – 43.8

4. Boiling point (ºC, normal pressure): 170.5

5. Refractive index (25ºC): 1.4959

6. Flash point (ºC): 57

7. Solubility: Slightly soluble in water, soluble in alcohol or ether.

Toxicological data

1. Acute toxicity: Rat oral LD50: 400 mg/kg; guinea pig transdermal LD50: 1000~2000 mg/kg

2. Harmful when taken orally or in contact with skin, and irritating to eyes, respiratory system, and skin.

Ecological data

This substance is slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 38.81

2. Molar volume (cm³/mol): 131.4

3. Isotonic specific volume (90.2K ): 314.3

4. Surface tension (dyne/cm): 32.6

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 15.38

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 12.9

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 80.6

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

Property��Stability

Avoid contact with strong oxidants and acids. Can burn in case of open flame or high heat.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, acids, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

It is obtained by using mixed pyridine as raw material, cutting the 2,4,6-trimethylpyridine fraction through distillation, and then distilling it again. Mixed pyridines are mainly derived from tar separation.

Purpose

Used in the manufacture of oral contraceptives (megestrol), vitamin A, and hydrocortisone. It can also be used to synthesize dyes and plant growth hormones.