2,6-Dimethylpyrazine 2,6-Dimethylpyrazine
Structural formula
| Business number | 02XC |
|---|---|
| Molecular formula | C6H8N2 |
| Molecular weight | 108.14 |
| label |
2,6-dimethyl-1,4-diazine, 2,6-Dimethyl-Pyrazin, 2,6-Dimethylpyrazine,Balance2,5-Isomer, 3,5-Dimethylpyrazine, Fema Number 3273, Fema 3273, 2,6-Dimethylpyrazine, 2,6-Dimethyl Paradiazine, 2,6-Dimethyl-1,4-Diazine |
Numbering system
CAS number:108-50-9
MDL number:MFCD00006148
EINECS number:203-589-4
RTECS number:UQ2975000
BRN number:1726
PubChem number:24893550
Physical property data
1. Properties: White to yellow massive crystals with the smell of coffee and roasted peanuts.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 48
5. Boiling point (ºC, normal pressure): 155
6. Boiling point (ºC, kPa): Undetermined
7. Refractive index (D20): 1.5000
8. Flash point (ºC): 52
9. Specific rotation (ºC): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, ºC): Not determined Determined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical Temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
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17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Dissolution Properties: Soluble in water and organic solvents.
Toxicological data
1. Acute toxicity: rat oral LD50: 880mg/kg; mouse abdominal LD50: 1080mg/kg;
2. Mutagenicity
Microbial typhoid fever Salmonella mutation: 4μmol/plate;
E. coli gene mutation test: 3300mg/L;
Hamster ovary cytogenetic analysis test: 2500mg/L;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 32.08
2. Molar volume (cm3/mol): 108.4
3. Isotonic specific volume (90.2K): 270.8
4. Surface tension (dyne/cm): 38.9
5. Polarizability (10-24cm3): 12.71
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: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 25.8
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 64.9
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
Avoid contact with oxides.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. The packaging requires sealing and should be stored separately from oxidants. Mixed storage is strictly prohibited. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
After the condensation polymerization of 1,2-diaminopropane, 2,6-dimethylpyrazine is separated from 2,5-dimethylpyrazine using a chromatography column.
Purpose
GB 2760-2001 stipulates the permitted food spices. Mainly used. Formulate flavors such as chocolate, coffee, meat and nuts. Used in various foods, processed products, and flavors.
