2-Methylpyrazine 2-Methylpyrazine
Structural formula
| Business number | 02YN |
|---|---|
| Molecular formula | C5H6N2 |
| Molecular weight | 94.11 |
| label |
Methyl pyrazine, 2 Methylpyrazine, 2-Methyl p-diazepine, 2-Methyl-1,4-diazine, 2-Methyl-1,4-diazinen, Fema Number 3309, Fema 3616, Fema 3309, Methylpyrazine, Methylpyrazine, 2- |
Numbering system
CAS number:109-08-0
MDL number:MFCD00006142
EINECS number:203-645-8
RTECS number:UQ3675000
BRN number:105778
PubChem number:24901629
Physical property data
1. Properties: Colorless to slightly yellow liquid, with a fragrance similar to that produced when heating beef and nuts and cocoa.
2. Density (g/mL, 25℃): 1.03
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): -29
5. Boiling point (ºC, normal pressure): 137
6. Boiling point (ºC, 763 mm Hg): Undetermined
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7. Refractive index (D20): 1.504
8. Flash point (ºC): 50
9. Specific rotation (ºC): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC) : Undetermined
12. Saturated vapor pressure (kPa, ℃): 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
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19 . Solubility: Miscible in water, ethanol, acetone and most non-volatile oils.
Toxicological data
1. Acute toxicity: Rat oral LD50: 1800mg/kg; Mouse abdominal LD50: 1820mg/kg;
2. Mutagenicity
Yeast cell gene Mutation: 8500mg/L;
Cytogenetic analysis of hamster ovary: 2500mg/L;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 27.26
2. Molar volume (cm3/mol): 92.1
3. ��� Zhang specific volume (90.2K): 233.2
4. Surface tension (dyne/cm): 41.0
5. Polarizability (10-24cm3): 10.80
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: 7
8. Surface charge: 0
9. Complexity: 54
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 storage temperature should not exceed 30℃. Keep container tightly sealed. should be kept away from oxidizer, do not store together. 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
2-Methylpyrazine can be prepared by catalytic dehydrogenation of 2-methylpiperazine or by condensation of pyruvic aldehyde and ethylenediamine.
Purpose
Used in dye and pharmaceutical industries, and also used as food flavor additives.