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| CAS No.: | 109-08-0 |
|---|---|
| Name: | 2-Methylpyrazine |
| Article Data: | 64 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C5H6N2 |
| Molecular Weight: | 94.116 |
| Synonyms: | 2-Methyl Pyrazine;2-Methyl-1,4-diazine;Methylpyrazine;Pyrazine, methyl-;Methyl Pyrazine Natural (NEW); |
| EINECS: | 203-645-8 |
| Density: | 1.021 g/cm3 |
| Melting Point: | -29 ºC |
| Boiling Point: | 135.1 ºC at 760 mmHg |
| Flash Point: | 50 ºC |
| Solubility: | Fully miscible in water. |
| Appearance: | clear colorless to slightly yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 10-22-36/37/38 |
| Safety: | 26-36-16 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 25.78000 |
| LogP: | 0.78500 |
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Chemistry
Molecular Structure of 2-Methylpyrazine (CAS NO.109-08-0):
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IUPAC Name: 2-Methylpyrazine
Molecular Formula: C5H6N2
Molecular Weight: 94.12
EINECS: 203-645-8
FEMA: 3309
XLogP3: 0.2
H-Bond Donor: 0
H-Bond Acceptor: 2
Melting Point: −29 °C(lit.)
Index of Refraction: 1.503
Molar Refractivity: 27.26 cm3
Molar Volume: 92.1 cm3
Surface Tension: 41 dyne/cm
Density: 1.021 g/cm3
Flash Point: 50 °C
Enthalpy of Vaporization: 35.72 kJ/mol
Boiling Point: 135.1 °C at 760 mmHg
Vapour Pressure: 9.69 mmHg at 25 °C
storage temp.: Flammables area
Classification Code: Mutation data
Appearance: clear colorless to slightly yellow liquid
Canonical SMILES: CC1=NC=CN=C1
InChI: InChI=1S/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey: CAWHJQAVHZEVTJ-UHFFFAOYSA-N
Product Categories: Pyrazine; Pyrazines; Mono- & Polyalkylpyrazines; pyrazine Flavor; Alphabetical Listings; Flavors and Fragrances; M-N; Building Blocks; Heterocyclic Building Blocks; Pyrazine compounds
Toxicity Data With Reference
| 1. | mmo-smc 8500 µg/L | FCTXAV Food and Cosmetics Toxicology. 18 (1980),581. | ||
| 2. | cyt-ham:ovr 2500 µg/L | FCTXAV Food and Cosmetics Toxicology. 18 (1980),581. | ||
| 3. | orl-rat LD50:1800 mg/kg | DCTODJ Drug and Chemical Toxicology. 3 (1980),249. | ||
| 4. | ipr-mus LD50:1820 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 17 (1970),244. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. Mutation data reported. Flammable liquid when exposed to heat, sparks, or flame. Can react with oxidizing materials. To fight fire, use water spray, foam, dry chemical, CO2. When heated to decomposition it emits highly toxic fumes of NOx.
Safety Information of 2-Methylpyrazine (CAS NO.109-08-0):
Hazard Codes: 
Xn,
Xi,
F
Risk Statements: 10-22-36/37/38
R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-16
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
RTECS: UQ3675000
HazardClass: 3
PackingGroup: III
Specification
2-Methylpyrazine (CAS NO.109-08-0), its Synonyms are 2-Methyl-1,4-diazine ; Methylpyrazine ; Pyrazine, 2-methyl- ; Pyrazine, methyl- .
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