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Acetylpyrazine

Acetylpyrazine structure

CAS No:
22047-25-2
Formula:
C6H6N2O
Chemical Name:
Acetylpyrazine
Synonyms:
Ethanone,1-(2-pyrazinyl)-;Ketone,methyl pyrazinyl;Ethanone,1-pyrazinyl-;1-(2-Pyrazinyl)ethanone;2-Acetylpyrazine;Acetylpyrazine;Pyrazine methyl ketone;NSC 72374;1-(Pyrazin-2-yl)ethanone;1-(2-Pyrazinyl)-1-ethanone;2-Acetyl-1,4-pyrazine;Methyl pyrazin-2-yl ketone;131922-02-6
Categories:
Cosmetic Ingredient > Perfuming

Description

Acetylpyrazine (2-Acetylpyrazine) is fused to form many polycyclic compounds, as useful structures in pharmaceuticals and perfumes. Acetylpyrazine is a component of the folates (vitamin B compounds) [1].

Solid|colourless to pale yellow crystals with a nutty, popcorn, breadcrust odour

2-acetylpyrazine is a pyrazine that is substituted by an acetyl group at position 2. It has been identified as one of the volatile flavor constituents in popcorn, bread crust, vinegar, and potato snacks. It has a role as a flavouring agent. It is an aromatic ketone and a member of pyrazines.

Acetylpyrazine Basic Attributes

Molecular Weight：

122.12

Exact Mass：

122.12

BRN：

109630

EC Number：

244-753-5

UNII：

GR391IBU5C

NSC Number：

72374

DSSTox ID：

DTXSID5047085

HScode：

2933990090

Characteristics

PSA：

42.8

XLogP3：

0.20

Appearance：

Solid

Density：

1.1±0.1 g/cm3

Melting Point：

76-78 °C

Boiling Point：

79-80 °C

Flash Point：

78-79°C/8mm

Refractive Index：

1.499

Water Solubility：

slightly soluble in water; soluble in organic solvents

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.095mmHg at 25°C

Flammability characteristics：

Flammable; decomposes by heating to release toxic nitrogen oxide fumes

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25

Marks：

Storage features：

Warehouse ventilated, low temperature and dry

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 280 companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-acetylpyrazine

Acetylpyrazine Use and Manufacturing

Methods of Manufacturing

General procedure: A 15‐mL RBF was charged with substrate (0.5 mmol), MnOx‐N(at)C catalyst (1 mg, pyrolysis at 600 °C) and TBHP (1.5mmol, 65percent in H2O). The flask was then sealed, and the mixturewas heated at 60 °C for 12 h. The reaction was cooled to roomtemperature and diluted with ethyl acetate (4 mL), before beingcentrifuged at 10000 r/min for 1 min to separate the catalyst.The supernatant was removed and the catalyst waswashed with ethyl acetate (5 × 4 mL). The supernatant wassubsequently combined the ethyl acetate wash solutions andevaporated to dryness to give a residue, which was purified byflash column chromatography over silica gel (ethyl acetate/n‐hexane = 1:10, v/v).

Manufacturing Info：

Ethanone, 1-(2-pyrazinyl)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:122.12
XLogP3:0.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:122.048012819
Monoisotopic Mass:122.048012819
Topological Polar Surface Area:42.8
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethyl acetate

Acetaldehyde

Trifluoroacetic acid

Ammonium persulfate

PETROLEUM ETHER

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Guide of Acetylpyrazine

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