Trimethylpyrazine
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Trimethylpyrazine
structure -
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CAS No:
14667-55-1
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Formula:
C7H10N2
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Chemical Name:
Trimethylpyrazine
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Synonyms:
Pyrazine,2,3,5-trimethyl-;Pyrazine,trimethyl-;2,3,5-Trimethylpyrazine;Trimethylpyrazine;2,3,6-Trimethylpyrazine;124765-77-1
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CAS No:
Characteristics
25.78000
1.40180
Clear yellow liquid
0.97
156 °C
171.5 °C
54ºC
1.503-1.507
soluble in water, oils, organic solvents|miscible at room temperature (in ethanol)
Flammables area
1.72mmHg at 25°C
Safety Information
III
3
UN 1993
3
R10; R22
S16
UQ3907000
Xn
Stable under normal temperatures and pressures.
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501
H226
|Warning|H226 (99.72%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1768 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]
Trimethylpyrazine Use and Manufacturing
General procedure: An equimolecular mixture of 2, 3-dimethylpyrazine (0.46 mmol, 50 mg) and 3, 5-dichlorosalicylic acid (0.46 mmol, 95.8 mg) was dissolved in 15 mL ethanol at room temperature and stirred for about 30 min, followed by filtrating and slow evaporation. Colorless block-like crystals were obtained within 2 weeks with the total yield of 23.3%. IR (KBr pellet, cm-1): 3456, 3084, 2856, 2423, 1669, 1580, 1441, 1358, 1313, 1225, 1169, 1008, 875, 803, 742, 697, 608, 553. The colorlessblock-like crystal of cocrystal 2 and colorless needle crystals of cocrystal 3 were obtained in the similar way as cocrystal 1, but utilized 2, 5-DMP and TMP instead of 2, 3-DMP, with the total yield of 30.2% and 25.2%, respectively. IR (KBr pellet, cm-1) for cocrystal 2: 3445, 3079, 2868, 2402, 1669, 1586, 1447, 1363, 1308, 1225, 1175, 1053, 880, 803, 753, 692, 608, 558. IR (KBr pellet, cm-1) for cocrystal 3: 3445, 3073, 2935, 2402, 1669, 1586, 1441, 1391, 1352, 1285, 1241, 1175, 1024, 886, 708, 603, 558.General procedure: Ag2O (23.2 mg, 0.1 mmol), 3-nitro-1, 2-benzenedicarboxylicacid (H2npt) (42.2 mg, 0.2 mmol) and epyz (24.4 mg, 0.2 mmol) were dissolved in methanol-H2O-DMF mixed solvent (6 mL, v/v/v = 1/1/1) in the presence of ammonia (0.5 mL, 14 M) underultrasonic treatment (160 W, 40 kHz, 30 min) under 40 C. Theresultant colorless solution was allowed slowly to evaporate atroom temperature in the dark. After several days, colorless platecrystals of 1 were isolated in about a 43% yield. They were washedwith a small volume of cold ethanol.
It is used to mix bread, pudding, chewing gum, soft drinks, milk, meat and other foods.
Pyrazine, 2,3,5-trimethyl-: ACTIVE
Food additives -> Flavoring Agents
Flavoring Agents
Computed Properties
Molecular Weight:122.17
XLogP3:1
Hydrogen Bond Acceptor Count:2
Exact Mass:122.084398327
Monoisotopic Mass:122.084398327
Topological Polar Surface Area:25.8
Heavy Atom Count:9
Complexity:92.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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