2,4,6-Trimethylaniline
Structural formula
| Business number | 01YW |
|---|---|
| Molecular formula | C9H13N |
| Molecular weight | 135.21 |
| label |
lysine, Mesidine |
Numbering system
CAS number:88-05-1
MDL number:MFCD00007740
EINECS number:201-794-3
RTECS number:BZ0700000
BRN number:636559
PubChem number:24889635
Physical property data
1. Properties: light yellow oil, easily oxidized when exposed to light, making the color darker.
2. Density (g/mL, 25/4℃): 0.963
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): -2.5
5. Boiling point (ºC, normal pressure): 232-233
6. Boiling point (ºC, 1.47kPa): 108 -110
7. Refractive index (n20D): 1.551
8. Flash point (ºC): 96
9. Specific 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 (polymer) Log value of the partition coefficient (alcohol/water): Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V ): Undetermined
19. Solubility: Slightly soluble in carbon tetrachloride, easily soluble in acetone and other organic solvents.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 44.96
2. Molar volume (cm3/mol ): 140.5
3. Isotonic specific volume (90.2K): 346.0
4. Surface tension (dyne/cm): 36.7
5. Polarizability (10-24cm3): 17.82
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 2.3
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 26
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity:99.3
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Exists in oriental tobacco leaves and smoke.
Storage method
This product should be kept sealed and dry.
Synthesis method
1. Prepare mixed acid with sulfuric acid and nitric acid, nitrate it with mesitylene at normal pressure below 10℃ for 4 hours, let it stand for stratification, and release the waste acid. The obtained 2,4,6-trimethylnitrobenzene, iron powder, hydrochloric acid and water were mixed in a ratio of 1:3.74:0.9:2.22 (mol ratio) and subjected to reduction reaction at 100-105°C for 8 hours. The crude mesityleneamine is then distilled from the reduced product and then purified by distillation.
2. Tobacco: OR, 18.
Purpose
Intermediate of the weakly acidic dye praglanRAW.
