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| CAS No.: | 123-32-0 |
|---|---|
| Name: | 2,5-Dimethyl pyrazine |
| Article Data: | 68 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8N2 |
| Molecular Weight: | 108.143 |
| Synonyms: | NSC 49139;2.5-dimethyl pyrazine;2,5-Dimethyl pyrazine;AI3-60303;CCRIS 2929;FEMA No. 3272; |
| EINECS: | 204-618-3 |
| Density: | 0.997 g/cm3 |
| Melting Point: | 15 °C |
| Boiling Point: | 155 °C at 760 mmHg |
| Flash Point: | 63.9 °C |
| Appearance: | clear colorless to pale yellow liquid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 25.78000 |
| LogP: | 1.09340 |
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- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 78-96-6, 1674-56-2
3-amino-2-propanol
- 123-32-0
2,5-dimethyl-pyrazine
| Conditions | Yield |
|---|---|
| 87% | |
| 85% | |
| With copper oxide-chromium oxide catalyst at 275℃; |
| Conditions | Yield |
|---|---|
| under 1 - 1.5 Torr; for 0.0833333h; Irradiation; | A 62% B 31% |
- 95-89-6
2,5-dimethyl-3-chloropyrazine
- 557-20-0
diethylzinc
A
- 123-32-0
2,5-dimethyl-pyrazine
B
- 13360-65-1
2-ethyl-3,6-dimethylpyrazine
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In N,N-dimethyl-formamide Heating; | A 49% B 25% |
- 95-89-6
2,5-dimethyl-3-chloropyrazine
A
- 123-32-0
2,5-dimethyl-pyrazine
B
- 13360-65-1
2-ethyl-3,6-dimethylpyrazine
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); diethylzinc; potassium carbonate In N,N-dimethyl-formamide Heating; | A 49% B 25% |
- 60175-11-3
1-ethoxycarbonylamino-2,5-dimethyl-pyrazinium betaine
A
- 123-32-0
2,5-dimethyl-pyrazine
B
- 60148-16-5
ethyl 3-methylpyrazole-N-carboxylate
| Conditions | Yield |
|---|---|
| In benzene for 3h; Irradiation; | A 30% B 45% |
| Conditions | Yield |
|---|---|
| With C39H31BMnNO2P2; potassium hydride In toluene at 150℃; for 48h; | 45% |
- 870544-21-1
1-azido-3-methylpentan-2-one
- 4504-27-2
1-azidopropan-2-one
A
- 123-32-0
2,5-dimethyl-pyrazine
B
- 32435-26-0
2,5-bis(1-methylpropyl)pyrazine
C
- 29461-07-2
2-methyl-5-(1-methylpropyl)pyrazine
| Conditions | Yield |
|---|---|
| With triphenylphosphine In benzene at 20℃; for 24h; | A 36% B 20% C 34% |
| Conditions | Yield |
|---|---|
| under 1 - 1.5 Torr; for 0.0833333h; Irradiation; | A 31% B 31% |
| Conditions | Yield |
|---|---|
| With air; sodium acetate In methanol at 60℃; | 30% |
- 123-91-1
1,4-dioxane
- 78-96-6, 1674-56-2
3-amino-2-propanol
A
- 123-32-0
2,5-dimethyl-pyrazine
B
- 106-55-8
2,5-dimethylpiperazine
| Conditions | Yield |
|---|---|
| With tributylphosphine; ruthenium trichloride | A n/a B 13.3% |
| With tributylphosphine; ruthenium trichloride | A n/a B 13.3% |
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Chemistry
The Molecular Structure of 2,5-Dimethylpyrazine (CAS NO.123-32-0):
Empirical Formula: C6H8N2
Molecular Weight: 108.1411
IUPAC Name: 2,5-dimethylpyrazine
Appearance: clear colorless to pale yellow liquid
Nominal Mass: 108 Da
Average Mass: 108.1411 Da
Monoisotopic Mass: 108.068748 Da
Index of Refraction: 1.503
Molar Refractivity: 32.08 cm3
Molar Volume: 108.4 cm3
Surface Tension: 38.9 dyne/cm
Density: 0.997 g/cm3
Flash Point: 63.9 °C
Enthalpy of Vaporization: 37.56 kJ/mol
Boiling Point: 155 °C at 760 mmHg
Vapour Pressure: 3.98 mmHg at 25 °C
pKa Dissociation Constant: 1.85 at 27 °C
log P (octanol-water): 0.63
Henry's Law Constant: 3.55E-06 atm-m3/mole at 25 °C
Atmospheric OH Rate Constant: 1.01E-12 cm3/molecule-sec at 25 °C
InChI
InChI=1/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
Smiles
c1(cnc(C)cn1)C
Product Categories: Pyrazines;Pyrazine;Heterocyclic Compounds;Acipimox;Mono- & Polyalkylpyrazines;pyrazine Flavor;Building Blocks;Heterocyclic Building Blocks;Alphabetical Listings;C-D;Flavors and Fragrances;Pyrazine compounds
Synonyms: AI3-60303 ; CCRIS 2929 ; EINECS 204-618-3 ; FEMA No. 3272 ; UNII-V99Y0MUY1Q
Uses
2,5-Dimethylpyrazine (CAS NO.123-32-0) can be used in chocolate cocoa powder, chocolate, coffee, fried, nut hazelnut, nut peanut.
Toxicity Data With Reference
| 1. | mmo-smc 3300 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 LD50:1020 mg/kg | DCTODJ Drug and Chemical Toxicology. 3 (1980),249. | ||
| 4. | ipr-mus LD50:1350 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 17 (1970),244. |
RTECS :UQ2800000
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, open flame, spark, oxidizers. To fight fire, use water spray, mist, dry chemical, CO2, foam. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes: 
Xi
Xn
Risk Statements: 22-36/37/38
R22: Harmful if swallowed
R36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36: Wear suitable protective clothing
WGK Germany: 3
RTECS: UQ2800000
Hazard Note: Irritant
Specification
2,5-Dimethylpyrazine (CAS NO.123-32-0) is also called as 2,5-Dimethyl-1,4-diazine ; Pyrazine, 2,5-dimethyl- ; 2,5-Dimethylparadiazine ; 2,5-Dimethylpyrazine (natural) .