2-Acetylpyrrole
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2-Acetylpyrrole
structure -
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CAS No:
1072-83-9
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Formula:
C6H7NO
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Chemical Name:
2-Acetylpyrrole
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Synonyms:
Ethanone,1-(1H-pyrrol-2-yl)-;Ketone,methyl pyrrol-2-yl;Ketone,methyl 2-pyrryl;1-(1H-Pyrrol-2-yl)ethanone;2-Acetylpyrrole;Methyl pyrrol-2-yl ketone;1-(2-Pyrrolyl)-1-ethanone;2-Pyrrolyl methyl ketone;(2-Pyrrolyl)ethanone;2-Acetyl-1H-pyrrole;NSC 42861;2-Acetyl-1H-indole;1-(1H-Pyrrole-2-yl)ethanone;1H-Pyrrol-2-yl methyl ketone;1-(1H-Pyrrol-2-yl)ethan-1-one;1-(Pyrrol-2-yl)ethanone
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CAS No:
Description
Methyl-2-pyrrolyl ketone has an odor reminiscent of bread, walnut and licorice white to beige crystalline powderChEBI: A pyrrole carrying an acetyl substituent at the 2-position.2-acetyl pyrrole is a colorless or yellow liquid. It occurs naturally in cereals and cereal product and has an odor reminiscent of walnut, licorice, baked bread, baked hazelnut, and fish. It is used as a food additive, such as in cocoa, rum, brandy, caramel. Methyl 2-pyrrolyl ketone is like bread, walnut, licorice. Ma
Solid|Light beige to yellowish fine crystals; Bready, walnut, licorice-like aroma
2-acetylpyrrole is a pyrrole carrying an acetyl substituent at the 2-position. It is a member of pyrroles, a methyl ketone and an aromatic ketone.
2-Acetylpyrrole Basic Attributes
109.13
109.13
1882
214-016-2
9K28W7PM6N
42861
DTXSID0047084
29339990
Characteristics
32.9
0.9
White to beige Crystalline Powder
1.1143 (rough estimate)
90 °C
220 °C
220°C
1.5040 (estimate)
Soluble in water and ether
Store below +30°C.
0.11mmHg at 25°C
Safety Information
NONH for all modes of transport
3
22-37/38-36/37/38
37/39-26-24/25-36
OB5970000
Xn,Xi
Harmful
Stable under normal temperatures and pressures.
P261
H302-H315-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 1438 companies from 12 notifications to the ECHA C&L Inventory.
2-Acetylpyrrole Use and Manufacturing
In the presence of zinc chloride, derived from the reaction of pyrrole, sodium acetate and anhydrous acetic acid. Or it can be obtained by sealing N-acetylpyrrole in a human tube and heating it at 250～280℃.
hepatoprotectant, organoleptic
Ethanone, 1-(1H-pyrrol-2-yl)-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:109.13
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:109.052763847
Monoisotopic Mass:109.052763847
Topological Polar Surface Area:32.9
Heavy Atom Count:8
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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