ChemicalBook--->CAS DataBase List--->1072-83-9

1072-83-9

1072-83-9 Structure

1072-83-9 Structure
IdentificationMore
[Name]

2-Acetyl pyrrole
[CAS]

1072-83-9
[Synonyms]

1-(1H-PYRROL-2-YL)ETHAN-1-ONE
1-(1H-PYRROL-2-YL)-ETHANONE
2-ACETYLPYRROLE
2-PYRROLYL METHYL KETONE
ACETYLPYRROLE, 2-
FEMA 3202
FEMA NUMBER 3202
METHYL 2-PYRROLYL KETONE
1-(1h-pyrrol-2-yl)-ethanon
1-(1H-pyrrol-2-yl)ethanone (acetylpyrrole)
1-(1H-pyrrole-2-yl)-ethanone
1H-Pyrrole, 2-acetyl
Ethanone,1-(1H-pyrrol-2-yl)-
Ketone, methyl pyrrol-2-yl
ketone,methylpyrrol-2-yl
Methyl pyrrol-2-yl ketone
methylpyrrol-2-ylketone
Pyrrole, 2-acetyl
Pyrrole-alpha-methyl ketone
METHYL 2-PYRROLYL KETONE 98+%
[EINECS(EC#)]

214-016-2
[Molecular Formula]

C6H7NO
[MDL Number]

MFCD00005220
[Molecular Weight]

109.13
[MOL File]

1072-83-9.mol
Chemical PropertiesBack Directory
[Appearance]

white to beige crystalline powder
[Melting point ]

88-93 °C (lit.)
[Boiling point ]

220 °C (lit.)
[density ]

1.1143 (rough estimate)
[FEMA ]

3202
[refractive index ]

1.5040 (estimate)
[Fp ]

220°C
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder
[pka]

14.86±0.50(Predicted)
[color ]

White to beige
[Odor]

roasted odor
[Odor Type]

musty
[Detection Methods]

GC,NMR
[JECFA Number]

1307
[BRN ]

1882
[LogP]

0.93
[CAS DataBase Reference]

1072-83-9(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanone, 1-(1H-pyrrol-2-yl)-(1072-83-9)
[EPA Substance Registry System]

1072-83-9(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

OB5970000
[Hazard Note ]

Harmful
[TSCA ]

Yes
[HS Code ]

29339990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic anhydride-->Sodium acetate-->Zinc chloride-->Sodium acetate trihydrate-->N,N-Dimethylacetamide-->Pyrrole
[Preparation Products]

4-METHYL-2-(1H-PYRROL-2-YL)QUINOLINE-->5-Ethyl-1H-pyrrole-2-carbaldehyde
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-(1H-Pyrrol-2-yl)ethan-1-one(1072-83-9).msds
Questions And AnswerBack Directory
[Description]

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.
Hazard InformationBack Directory
[Chemical Properties]

Methyl-2-pyrrolyl ketone has an odor reminiscent of bread, walnut and licorice
[Chemical Properties]

white to beige crystalline powder
[Occurrence]

Reported found in essential oils of tobacco leaves, apple, asparagus, onion, baked and fried potato, roasted almonds, wheat bread, cooked chicken, cooked beef and pork, beer, malt whiskey, cocoa, coffee, tea, roasted filberts, and peanuts, peanut butter, potato chips, soybean, coconut, mushrooms, almond, mango, licorice, sweet corn, malt, wort, dried bonito, Bourbon vanilla, chicory root, okra, crab, scallop and clam.
[Uses]

2-Acetylpyrrole has been used in the synthesis of 2-acetyl-1-pyrroline.
[Uses]

hepatoprotectant, organoleptic
[Definition]

ChEBI: A pyrrole carrying an acetyl substituent at the 2-position.
[Preparation]

From pyrrole magnesium iodide and acetyl chloride; a volatile flavor component in roasted filberts
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 48, p. 3214, 1983 DOI: 10.1021/jo00167a014
Tetrahedron Letters, 26, p. 4649, 1985 DOI: 10.1016/S0040-4039(00)98776-8
[General Description]

2-Acetylpyrrole undergoes alkylation reaction with alkyl iodide in benzene/solid KOH system in the presence of 18-crown-6 to yield the corresponding 1-alkyl derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Acetyl pyrrole(1072-83-9)MS
2-Acetyl pyrrole(1072-83-9)1HNMR
2-Acetyl pyrrole(1072-83-9)13CNMR
2-Acetyl pyrrole(1072-83-9)IR1
2-Acetyl pyrrole(1072-83-9)IR2
2-Acetyl pyrrole(1072-83-9)IR3
2-Acetyl pyrrole(1072-83-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Acetylpyrrole, 99%(1072-83-9)
[Alfa Aesar]

2-Acetylpyrrole, 98%(1072-83-9)
[Sigma Aldrich]

1072-83-9(sigmaaldrich)
[TCI AMERICA]

2-Acetylpyrrole,>98.0%(GC)(1072-83-9)
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