2-acetyl pyrrole
methyl 2-pyrrolyl ketone
Identification
| Name | 2-acetyl pyrrole |
| IUPAC | 1-(1H-pyrrol-2-yl)ethanone |
| CAS Number | 1072-83-9 |
| EINECS | 214-016-2 |
| FDA UNII | 9K28W7PM6N |
| Molecular Formula | C6 H7 N O |
| Molecular Weight | 109.12799000 |
| MDL Number | MFCD00005220 |
| Nikkaji Number | J80.142I |
| Beilstein | 0001882 |
| CoE Number | 11721 |
| XlogP3 | 0.90 (est) |
Regulatory
| JECFA Food Flavoring | 1307 methyl 2-pyrrolyl ketone |
| DG SANTE Food Flavourings | 14.047 2-acetylpyrrole |
| FEMA Number | 3202 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 1072-83-9 ; METHYL 2-PYRROLYL KETONE |
Physical Properties
| Appearance | beige to yellowish crystals (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Melting Point | 87.00 to 93.00 °C. @ 760.00 mm Hg |
| Boiling Point | 220.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 0.110000 mmHg @ 25.00 °C. (est) |
| Flash Point | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w) | 0.930 |
| Soluble in | alcohol |
| Stability | antiperspirant, fair |
Organoleptic Properties
| Odor Description |
at 1.00 % in dipropylene glycol. Musty, nutty-like with a coumarin nuance Walnut and licorice-like Bread, walnut, and important in liquorice nut, sweet, licorice
|
| Odor sample from | R C Treatt and Co Ltd |
| Taste Description |
sweet fruity musty cherry nutty wasabi mustard tea at 10.00 ppm. sweet musty nut tea nutty sweet, tea
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for 2-acetyl pyrrole usage levels up to | 1.0000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 3.30 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.20 (μg/capita/day) |
| Structure Class | II |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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Potential Uses
Natural Occurrence
Synonyms
2-
acetopyrrole
2-
acetyl-1H-pyrrole
2-
acetylpyrrole
acetylpyrrole (methyl-2-pyrrolyl ketone)
2-
acetylpyrrole FCC
2-
acetylpyrrole natural 5% in ethyl alcohol
ethanone, 1-(1H-pyrrol-2-yl)-
methyl 2-pyrrolyl ketone
methyl pyrrol-2-yl ketone
pyrrol-2-yl methyl ketone
1-(1H-
pyrrol-2-yl) ethanone
1-(1H-
pyrrol-2-yl)-ethanone
1-(1H-
pyrrol-2-yl)ethan-1-one
1-(1H-
pyrrol-2-yl)ethanone
pyrrole-beta-methyl ketone
2-
pyrrolyl ethanone
2-
pyrrolyl methyl ketone
1-(2-
pyrrolyl)-1-ethanone
2-
pyrrolylmethyl ketone
PubMed:
Comparative analysis of characteristic volatile compounds in Chinese traditional smoked chicken (specialty poultry products) from different regions by headspace-gas chromatography-ion mobil
PubMed:
Mutagen formation in the reaction of Maillard browning products, 2-acetylpyrrole and its analogues, with nitrite
PubMed:
Chlorido{2-[1-(2-pyridylmethyl-imino)eth-yl]pyrrolato-?N,N',N''}copper(II)
PubMed:
Microwave Irradiation Syntheses and Crystal Structures of Two Series of Novel Fivemembered Heterocyclic Mono-Imine Compounds
PubMed:
Characterization of key odor-active compounds in commercial high-salt liquid-state soy sauce by switchable GC/GCÿ?ÿGC-olfactometry-MS and sensory evaluation
PubMed:
Pyrrole alkaloids from Bolbostemma paniculatum
PubMed:
Composition analysis and antioxidant properties of black garlic extract
PubMed:
Gas/Particle Partitioning Constants of Nicotine, Selected Toxicants, and Flavor Chemicals in Solutions of 50/50 Propylene Glycol/Glycerol As Used in Electronic Cigarettes
PubMed:
Contribution of aroma compounds to the antioxidant properties of roasted white yam (Dioscorea rotundata)
PubMed:
Fractionation and identification of minor and aroma-active constituents in Kangra orthodox black tea
PubMed:
Metabolomics and genomics combine to unravel the pathway for the presence of fragrance in rice
PubMed:
Key aroma components of a dry-cured sausage with high fat content (sobrassada)
PubMed:
Mutagenicity and cytotoxicity of nitropyrrole compounds derived from the reaction of 2-acetyl pyrrole with nitrite
PubMed:
Development of chemical-based reference standards for rooibos and honeybush aroma lexicons
PubMed:
Influence of epicatechin reactions on the mechanisms of Maillard product formation in low moisture model systems
PubMed:
Odorants quantitation in high-quality cocoa by multiple headspace solid phase micro-extraction: Adoption of FID-predicted response factors to extend method capabilities and information pote
PubMed:
Effects of Maillard reaction products on mutagen formation in boiled pork juice
PubMed:
Determination of Key Volatile Compounds Related to Long-Term Fermentation of Soy Sauce
PubMed:
Effect of the pyrrole polymerization mechanism on the antioxidative activity of nonenzymatic browning reactions
PubMed:
Identification of hydroxycinnamic acid-maillard reaction products in low-moisture baking model systems
PubMed:
Aroma compounds in sweet whey powder
PubMed:
Antioxidative activities of heterocyclic compounds formed in brewed coffee
PubMed:
A critical evaluation of the s-cis-trans isomerism of 2-acetylpyrrole and its N-methyl derivative through infrared and NMR spectroscopies and theoretical calculations
PubMed:
Antioxidative activity of heterocyclic compounds found in coffee volatiles produced by Maillard reaction
PubMed:
Changes in volatile compounds upon aging and drying in oolong tea production
PubMed:
Role of roasting conditions in the profile of volatile flavor chemicals formed from coffee beans
PubMed:
Impact of sodium reduction strategies on volatile compounds, sensory properties and consumer perception in commercial wheat bread
PubMed:
Correlation between microbial communities and key flavors during post-fermentation of Pixian broad bean paste
PubMed:
Bacterial communities and volatile compounds in Doubanjiang, a Chinese traditional red pepper paste
PubMed:
Multivariate relationships among sensory, physicochemical parameters, and targeted volatile compounds in commercial red sufus (Chinese fermented soybean curd): Comparison of QDA? and Flash
PubMed:
Characterization of odor-active compounds in cooked meat of farmed obscure puffer (Takifugu obscurus) using gas chromatography-mass spectrometry-olfactometry
PubMed:
Genotoxicity of 1,3-dithiane and 1,4-dithiane in the CHO/SCE assay and the Salmonella/microsomal test
PubMed:
2- and 3-acetylpyrroles: a combined calorimetric and computational study
PubMed:
Eco-Friendly Synthesis of Some Thiosemicarbazones and Their Applications as Intermediates for 5-Arylazothiazole Disperse Dyes
PubMed:
Preparation, aroma characteristics and volatile compounds of flavorings from enzymatic hydrolyzed rice bran protein concentrate
PubMed:
Impact of the addition of cocoa butter equivalent on the volatile compounds profile of dark chocolate
PubMed:
Antioxidant activities of extracts from teas prepared from medicinal plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata , and their volatile components
PubMed:
Caramelization of maltose solution in presence of alanine
PubMed:
Performance and fouling mechanism of direct contact membrane distillation (DCMD) treating fermentation wastewater with high organic concentrations
PubMed:
Multi-stir bar sorptive extraction for analysis of odor compounds in aqueous samples
PubMed:
Thermal decomposition of specifically phosphorylated D-glucoses and their role in the control of the Maillard reaction
PubMed:
Identification of potent odorants in a novel nonalcoholic beverage produced by fermentation of wort with shiitake (Lentinula edodes)
PubMed:
Hepatotoxicity of 1,3,5-trinitro-2-acetyl pyrrole derived from nitrosation of Maillard reaction product in BALB/C mouse
PubMed:
Quantitative Chemical Proteomic Profiling of Ubiquitin Specific Proteases in Intact Cancer Cells
PubMed:
Characterisation of glycoprotein ligands synthesised using solid-phase combinatorial chemistry
PubMed:
Derivatization of secondary amines with 2-naphthalene-sulfonyl chloride for high-performance liquid chromatographic analysis of spectinomycin
PubMed:
Bis(ketopyrrolyl) complexes of Co(II) stabilised by trimethylphosphine ligands
PubMed:
Synthesis of protected 2-pyrrolylalanine for peptide chemistry and examination of its influence on prolyl amide isomer equilibrium
PubMed:
Storage stability of cauliflower soup powder: The effect of lipid oxidation and protein degradation reactions
PubMed:
A novel pyrrole oligoglycoside from the starfish Asterina pectinifera
PubMed:
Cycloaromatization approach to polysubstituted indolizines from 2-acetylpyrroles: decoration of the pyridine unit