ChemicalBook CAS DataBase List 1072-83-9

1072-83-9

Name	2-Acetyl pyrrole
CAS	1072-83-9
EINECS(EC#)	214-016-2
Molecular Formula	C6H7NO
MDL Number	MFCD00005220
Molecular Weight	109.13
MOL File	1072-83-9.mol

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+%

Chemical Properties

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
biological source	synthetic
Odor Type	musty
Detection Methods	GC,NMR
JECFA Number	1307
BRN	1882
Major Application	flavors and fragrances
InChI	1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChIKey	IGJQUJNPMOYEJY-UHFFFAOYSA-N
SMILES	CC(=O)c1ccc[nH]1
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 Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H319-H302-H315-H335
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
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 . less more
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 . less more
WGK Germany	3
RTECS	OB5970000
Hazard Note	Harmful
TSCA	Yes
HS Code	29339990
Storage Class	13 - Non Combustible Solids

Raw materials And Preparation Products

Hazard Information

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.

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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