2-acetyl-5-methyl pyrrole
1-(5-methyl-1H-pyrrol-2-yl)ethanone

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Name: 1-(5-methyl-1H-pyrrol-2-yl)ethanone CAS Number: 6982-72-5 3D/inchi FDA UNII: Search Nikkaji Web: J40.163C XlogP3-AA: 1.10 (est) Molecular Weight: 123.15493000 Formula: C7 H9 N O NMR Predictor: Predict (works with chrome, Edge or firefox) Category:flavoring agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search PubMed: Search NCBI: Search DG SANTE Food Flavourings: 14.085 2-acetyl-5-methylpyrrole   Physical Properties: Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Melting Point: 88.00 °C. @ 760.00 mm Hg Boiling Point: 234.00 to 235.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.040000 mmHg @ 25.00 °C. (est) Flash Point: 220.00 °F. TCC ( 104.60 °C. ) (est) logP (o/w): 1.337 (est) Soluble in:   alcohol   water, 1.109e+004 mg/L @ 25 °C (est) Insoluble in:   water Similar Items:note 2-acetyl-1-methyl pyrrole   Organoleptic Properties: Odor Type: earthy earthy roasted Odor Description:at 0.10 % in propylene glycol. earthy roasted Flavor Type: bitter bitter earthy roasted Taste Description: bitter earthy roasted Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Chemical Sources Association Need This Item for Flavor/Food?: You can contact the Chemical Sources Association   Safety Information:   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: flavoring agents Recommendation for 2-acetyl-5-methyl pyrrole usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day) Modified Theoretical Added Maximum Daily Intake (mTAMDI): 400 (μg/person/day) Threshold of Concern: 540 (μg/person/day) Structure Class: II   Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.   average usage mg/kg maximum usage mg/kg Dairy products, excluding products of category 02.0 (01.0): 0.40000 2.00000 Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.10000 0.50000 Edible ices, including sherbet and sorbet (03.0): 0.40000 2.00000 Processed fruit (04.1): 0.40000 2.00000 Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): - - Confectionery (05.0): 1.00000 5.00000 Chewing gum (05.3): - - Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.20000 1.00000 Bakery wares (07.0): 2.00000 10.00000 Meat and meat products, including poultry and game (08.0): 0.20000 1.00000 Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.20000 1.00000 Eggs and egg products (10.0): - - Sweeteners, including honey (11.0): - - Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.10000 0.50000 Foodstuffs intended for particular nutritional uses (13.0): 0.20000 1.00000 Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.20000 1.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): - - Ready-to-eat savouries (15.0): 1.00000 5.00000 Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.20000 1.00000   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 EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :13220327 National Institute of Allergy and Infectious Diseases:Data 1-(5-methyl-1H-pyrrol-2-yl)ethanone   References:   1-(5-methyl-1H-pyrrol-2-yl)ethanone NIST Chemistry WebBook: Search Inchi Pubchem (cid): 13220327 Pubchem (sid): 126500814   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 HMDB (The Human Metabolome Database): Search VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these gentiana lutea root extract FL/FR sulfuryl octanoate FL/FR sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR sulfuryl propionate FL/FR caramellic caramellic fenugreek oleoresin FL/FR chocolate chocolate pyrazine A FL/FR 2,6- dimethyl pyrazine FL/FR 2,5- dimethyl pyrazine FL/FR 2- methoxy-3-methyl pyrazine FL/FR 2,4,5- trimethyl thiazole FL/FR citrus 2- heptanol FL/FR cocoa 2-iso butyl-3,5-(and 3,6)-dimethyl pyrazine FL/FR theobroma cacao extract FL/FR coffee cichorium intybus root solid extract FL/FR coffee difuran FL/FR furfuryl mercaptan FL/FR 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR corn chip popcorn pyrimidine FL/FR earthy nutty pyrazine FL/FR ethereal 2- methyl-1-butanol FL/FR green 2- heptyl furan FL/FR herbal black camellia sinensis leaf infusion FL/FR musty hazelnut pyrazine FL/FR nutty 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR 3,6- cocoa pyrazine FL/FR 3,5- cocoa pyrazine FL/FR filbert heptenone FL/FR methoxymethyl pyrazine FL/FR 2- methyl pyrazine FL/FR 5- methyl quinoxaline FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR 2- methyl-3-ethoxypyrazine FL/FR nutty quinoxaline FL/FR 2,4,5- trimethyl oxazole FL/FR 2,3,5- trimethyl pyrazine FL/FR popcorn 2- acetyl thiazole FL/FR roasted fenugreek resinoid FL/FR sulfurous cocoa essence FL/FR ethyl 3-mercaptobutyrate FL/FR fish thiol FL/FR furfuryl thioacetate FL/FR 2- mercaptopropionic acid FL/FR woody 2- methoxy-4-vinyl phenol FL/FR For Flavor No flavor group found for these benzyl methyl sulfide FL 1,2- butane dithiol FL 2- butenoic acid FL 2-iso butyl-3,5-(and 3,6)-dimethyl pyrazine FL/FR 2-iso butyl-4,5-dimethyl oxazole FL 2(4)-iso butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine FL chocolate pyrazine A FL/FR chocolate pyrazine B FL 3,6- diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri FL 6,7- dihydro-2,3-dimethyl-5H-cyclopentapyrazine FL dimethyl dihydrocyclopentapyrazine FL 2,5- dimethyl thiazole FL (Z+E)-2,5- dimethyl-3-tetrahydrofuran thiol FL (Z+E)-2,5- dimethyl-3-thioacetoxytetrahydrofuran FL 2,5- dimethyl-3-thiofuroyl furan FL 2- ethoxy-3-isopropyl pyrazine FL ethyl 3-mercaptobutyrate FL/FR 3-( ethyl thio) butanol FL 2- ethyl-3-methyl thiopyrazine FL (Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL (Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL 1-(3- hydroxy-5-methyl-2-thienyl) ethanone FL 3- mercapto-3-methyl butyl formate FL 4- methoxybenzoyl oxyacetic acid FL methyl 2-(methyl thio) acetate FL methyl methane thiosulfonate FL 2-( methyl thio) methyl-2-butenal FL 2- methyl-3-,5 or 6-(furfuryl thio) pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR 2- methyl-3-ethoxypyrazine FL/FR 3-((2- methyl-3-furyl)thio)-4-heptanone FL 1- phenyl-3(5)-propyl pyrazole FL 3-iso propenyl pentane dioic acid FL 2- propionyl pyrrole FL propionyl pyrroline 1% in vegatable oil triglyceride FL propyl propane thiosulfonate FL pyrazine FL pyrazines mixture FL sodium methoxybenzoyl oxyacetate FL sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR thioacetic acid FL 5- acetyl-2,3-dihydro-1,4-thiazine FL S- allyl-laevo-cysteine FL 3,7- dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide FL (±)-3-( methyl thio) heptanal FL 3-( methyl thio) methyl thiophene FL 2- methyl-1-methyl thio-2-butene FL 4- pentenal FL pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine FL sulfuryl formate FL sulfuryl octanoate FL/FR sulfuryl propionate FL/FR 1-(2- thienyl) butanone FL alliaceous alliaceous allyl mercaptan FL 3- mercapto-2-pentanone FL bitter methyl ethoxypyrazine FL brown fenugreek oleoresin FL/FR juglans nigra shell extract FL burnt tea pyrrole FL 2,4,5- trimethyl oxazole FL/FR caramellic fenugreek resinoid FL/FR chemical 2,5- dimethyl furan FL chocolate cocoa essence FL/FR cocoa chocolate enhancers FL cocoa distillates FL theobroma cacao extract FL/FR coffee cichorium intybus root solid extract FL/FR coffee difuran FL/FR coffee enhancers FL 2,4- dimethyl thiazole FL furfuryl mercaptan FL/FR methyl furfuryl thiol FL 2- thiophene thiol FL corn chip 2- acetyl thiazole FL/FR popcorn pyrimidine FL/FR creamy 2,5- dimethyl-3-thioisovaleryl furan FL ethereal 2- methyl-1-butanol FL/FR fatty 4,5- dimethyl-2-propyl oxazole FL 2- heptyl furan FL/FR fishy 4,5- dimethyl thiazole FL fruity 2- heptanol FL/FR green 2,5- dimethyl-4-ethyl oxazole FL gentiana lutea root extract FL/FR herbal black camellia sinensis leaf infusion FL/FR meaty 4- allyl-2,6-dimethoxyphenol FL 2,6- dimethyl pyrazine FL/FR 2,6- dimethyl thiophenol FL 1,1- ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% FL (R,S)-2- mercapto-3-butanol FL 3- mercapto-3-methyl butanol FL 2- mercaptomethyl pyrazine FL 2- mercaptopropionic acid FL/FR bis(2- methyl-3-furyl) disulfide FL S-(2- methyl-3-furyl) ethane thioate FL 2- methyl-3-tetrahydrofuran thiol FL propyl 2-mercaptopropionate FL 2- pyridinyl methane thiol FL thialdine FL mustard furfuryl methyl ether FL musty 2,5- dimethyl pyrazine FL/FR 2- ethoxythiazole FL hazelnut pyrazine FL/FR 2,3,5- trimethyl pyrazine FL/FR nutty 3- acetyl-2,5-dimethyl thiophene FL 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-3,5(or 6)-dimethyl pyrazine FL/FR 2- butyl-2-butenal FL 3,5- cocoa pyrazine FL/FR 3,6- cocoa pyrazine FL/FR 2- ethyl-6-methyl pyrazine FL filbert heptenone FL/FR 2- methoxy-3-methyl pyrazine FL/FR methoxymethyl pyrazine FL/FR 2- methyl pyrazine FL/FR 5- methyl quinoxaline FL/FR nutty pyrazine FL/FR nutty quinoxaline FL/FR nutty thiazole FL sesame distillates FL 2,4,5- trimethyl thiazole FL/FR phenolic 2- ethyl benzene thiol FL popcorn 2- propionyl-2-thiazoline FL roasted 3,5- diisobutyl-1,2,4-trithiolane FL furfuryl thioacetate FL/FR gluconyl ethanolamine FL gluconyl ethanolamine phosphate FL hexyl mercaptan FL lactoyl ethanolamine FL lactoyl ethanolamine phosphate FL methyl isopentyl disulfide FL smoky 2- methoxy-4-vinyl phenol FL/FR sulfurous fish thiol FL/FR methyl 2-methyl-3-furyl disulfide FL roasted butanol FL 2- thienyl mercaptan FL 2,4,6- trithiaheptane 10% in triacetin FL winey 5- ethyl-2-methyl pyridine FL   Potential Uses: FL coffee FL meat   Occurrence (nature, food, other):note   coffee - 0.3 mg/kg Search PMC Picture   malt - 0.02 mg/kg Search PMC Picture   Synonyms: 2- acetyl-5-methylpyrrole   ethanone, 1-(5-methyl-1H-pyrrol-2-yl)- 5- methyl pyrrol-2-yl ketone 1-(5- methyl pyrrol-2-yl) ethanone 1-(5- methyl-1H-pyrrol-2-yl)ethanone   Articles:   None found yet. 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Notes: None found