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Trimethylpyrazine

Trimethylpyrazine structure

CAS No:
14667-55-1
Formula:
C7H10N2
Chemical Name:
Trimethylpyrazine
Synonyms:
Pyrazine,2,3,5-trimethyl-;Pyrazine,trimethyl-;2,3,5-Trimethylpyrazine;Trimethylpyrazine;2,3,6-Trimethylpyrazine;124765-77-1
Categories:
Cosmetic Ingredient > Perfuming

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Description

colourless to slightly yellow liquid with a roasted nut, baked potato odour

Trimethylpyrazine Basic Attributes

Molecular Weight：

122.16800

Exact Mass：

122.17

EC Number：

238-712-0

UNII：

Q8PR0W8TIT

DSSTox ID：

DTXSID1047075

HScode：

2933990090

Characteristics

PSA：

25.78000

XLogP3：

1.40180

Appearance：

Clear yellow liquid

Density：

0.97

Melting Point：

156 °C

Boiling Point：

171.5 °C

Flash Point：

54ºC

Refractive Index：

1.503-1.507

Water Solubility：

soluble in water, oils, organic solvents|miscible at room temperature (in ethanol)

Storage Conditions：

Flammables area

Vapor Pressure：

1.72mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993

wgk germany：

hazard class code：

R10; R22

safety instructions：

S16

RTECS Number：

UQ3907000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|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]

Drug Information

MeSH Entry Terms：

2,3,5-trimethyl pyrazine

Trimethylpyrazine Use and Manufacturing

Methods of 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.

Uses

It is used to mix bread, pudding, chewing gum, soft drinks, milk, meat and other foods.

Manufacturing Info：

Pyrazine, 2,3,5-trimethyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

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

Material

Glucose

Glycine

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2,3,5-Trimethylpyrazine (US Natural)

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Guide of Trimethylpyrazine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Trimethylpyrazine

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