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2-Acetylpyrrole
General Material Information
| Trival Name | 2-Acetylpyrrole |
| Short Description | methyl 2-pyrrolyl ketone |
| Formula | C6 H7 N O |
| CAS Number | 1072-83-9 |
| ECHA Number | 214-016-2 |
| FDA UNII | 9K28W7PM6N |
| Nikkaji Number | J80.142I |
| Beilstein Number | 0001882 |
| MDL | MFCD00005220 |
| COE Number | 11721 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1307 methyl 2-pyrrolyl ketone |
| FEMA Number | 3202 |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 1072-83-9 ; METHYL 2-PYRROLYL KETONE |
| Flavis Number | 14.047 |
| Applications |
|
| Synonyms |
|
Occurrences
| almond roasted almond |
| asparagus |
| beef cooked beef |
| beef roasted beef |
| chicken cooked chicken |
| chicory root oil @ 0.096% (data available) |
| cichorium intybus l. root extract @ 3.77% (data available) |
| cocoa |
| coconut |
| coffee |
| licorice |
| malt |
| mustard white mustard |
| peanut |
| popcorn |
| pork cooked pork |
| potato baked potato |
| potato chip |
| potato roasted potato |
| sesame seed |
| soybean |
| tea leaf |
| tea plant |
| tobacco leaf |
| whiskey malt whiskey |
Organoleptic Properties
| Odor Type: Musty | |
| Luebke, William tgsc, (2017) | At 1.00 % in dipropylene glycol. musty nut skin maraschino cherry coumarinic licorice walnut bready |
| Mosciano, Gerard P&F 16, No. 2, 49, (1991) | Musty, nutty-like with a coumarin nuance |
| Flavor Type: Nutty | |
| Luebke, William tgsc, (2017) | Sweet fruity musty cherry nutty wasabi mustard tea |
| Mosciano, Gerard P&F 16, No. 2, 49, (1991) | At 10.00 ppm. Sweet, musty, nutty and tea-like |
| General comment | Sweet musty nut tea |
| Used in flavours for beverages at 3ppm, and desserts at 2ppm, and in processed foods at 20-50ppm. | Nutty |
Potential Uses
| Odor purposes | Coffee , Licorice , Malt , Peanut , Popcorn , Tobacco |
| Flavoring purposes | Bread , Chocolate cocoa , Sugar brown sugar , Tea , Walnut |
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 1-(1H-pyrrol-2-yl)ethanone | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 1072-83-9 |
| Pubchem (cid): | 14079 |
| Pubchem (sid): | 134980104 |
| Flavornet: | 1072-83-9 |
| Pherobase: | View |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB35882 |
| FooDB: | FDB014664 |
| Export Tariff Code: | 2933.99.9700 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 109.12799072266 |
| Melting Point | 87 to 93°C @ 760 mm Hg |
| Vapor Pressure | 0.11 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 0.93 |
| Solubility | |
| alcohol | Yes |
| water, 1.759e+004 mg/L @ 25 °C (est) | Yes |
| water, 1.76E+04 mg/L @ C (exp) | Yes |
| Stability | |
| perborate powder detergent | Good |
| soap | Good |
| antiperspirant | Fair |
| concentrated fabric softener | Fair |
| hypochlorite bleach | Fair |
| liquid detergent | Fair |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 37/38 - Irritating to respiratory system and skin. S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 24 - Avoid contact with skin. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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 | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 50.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 50.00000 | |
| fruit ices: | - | 50.00000 | |
| gelatins / puddings: | - | 50.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 50.00000 | |
| 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: | - | 50.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 24 (FGE.24): Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 Flavouring Group Evaluation 24, Revision 1 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 77 (FGE77) [1] - Consideration of Pyridine, Pyrrole and Quinoline Derivatives evaluated by JECFA (63rd meeting) structurally related to Pyridine, Pyrrole, Indole and Quinoline Derivatives evaluated by EFSA in FGE.24Rev1 (2008) View page or View pdf |
| Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). View page or View pdf |
| Scientific opinion on Flavouring Group Evaluation 24, Revision 2 (FGE.24Rev2): Pyridine, pyrrole, indole and quinoline derivatives from chemical group 28 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 77, Revision 2 (FGE.77Rev2): Consideration of Pyridine, Pyrrole and Quinoline Derivatives evaluated by JECFA (63rd meeting) structurally related to Pyridine, Pyrrole, Indole and Quinoline Derivatives evaluated by EFSA in FGE.24Rev2 (2013) View page or View pdf |
| Safety and efficacy of pyridine and pyrrole derivatives belonging to chemical group 28 when used as flavourings for all animal species View page or View pdf |
| Scientific opinion on flavouring group evaluation 77, revision 3 (FGE.77Rev3): consideration of pyridine, pyrrole and quinoline derivatives evaluated by JECFA (63rd meeting) structurally related to pyridine, pyrrole, indole and quinoline derivatives evaluated by EFSA in FGE.24Rev2 View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):1072-83-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :14079 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1-(1H-pyrrol-2-yl)ethanone |
| Chemidplus:0001072839 |
| RTECS:OB5970000 for cas# 1072-83-9 |