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2-acetyl-1-methyl pyrrole

Chemical Structure

General Material Information

Preferred name 2-acetyl-1-methyl pyrrole
Trivial Name 2-Acetyl-1-methylpyrrole
Short Description 1-methyl-2-acetylpyrrole
Formula C7 H9 N O
CAS Number 932-16-1
FEMA Number 3184
Flavis Number 14.046
ECHA Number 213-247-6
FDA UNII 6712EFN084
Nikkaji Number J127.227F
MDL MFCD00003089
COE Number 11373
xLogP3-AA 0.70 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1306 1-methyl-2-acetylpyrrole
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 932-16-1 ; 1-METHYL-2-ACETYLPYRROLE
Synonyms
  • 2-acetyl-1-methyl-1H-pyrrole
  • 2-acetyl-1-methylpyrrole
  • ethanone, 1-(1-methyl-1H-pyrrol-2-yl)-
  • ethanone, 1-(1-methyl-1H-pyrrol-2-yl)-
  • ketone, methyl 1-methylpyrrol-2-yl
  • methyl 1-methyl pyrrol-2-yl ketone
  • methyl 1-methyl-2-pyrrolyl ketone
  • methyl 1-methylpyrrol-2-yl ketone
  • 1-methyl pyrrol-2-yl methyl ketone
  • 1-(1-methyl pyrrol-2-yl)ethanone
  • 1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one
  • 1-(1-methyl-1H-pyrrol-2-yl)ethanone
  • 1-methyl-2-acetyl pyrrole
  • N- methyl-2-acetyl pyrrole
  • 1-methyl-2-acetylpyrrole
  • N- methyl-2-acetylpyrrole
  • 1-methylpyrrol-2-yl methyl ketone
  • 1-(1-methylpyrrol-2-yl)ethanone
  • 1-(1-methylpyrrol-2-yl)ethanone
  • 1-(1-Methyl-1H-pyrrol-2-yl)ethanone
  • N-Methyl-2-acetylpyrrole
  • 1-Methyl-2-acetylpyrrole
  • 2-Acetyl-1-methylpyrrole
  • 2-Acetyl-N-methylpyrrole
  • N-Methyl-2-pyrrolylethanone
  • NSC 87239
  • 1-(1-Methyl-1H-pyrrol-2-yl)ethan-1-one
  • N-Methyl-5-acetylpyrrole

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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
HMDB (The Human Metabolome Database):HMDB40360
FooDB:FDB020088
Export Tariff Code:2933.90.9500
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 123.15493011475
Specific gravity @ 25 °C
Pounds per Gallon 8.629 to 8.67
Refractive Index 1.539 to 1.545 @ 20 °C
Boiling Point 200 to 202°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.292 mmHg @ 25 °C
Flash Point TCC Value 68.33 °C TCC
logP (o/w) 1.387 est
Solubility
water, 1.109e+004 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Earthy
earthy
General comment At 100.00 %. earthy
Flavor Type: Nutty
nutty, floral, fruity, smoky, musty
General comment Nutty floral fruity smoky musty

Occurrences

Potential Uses

Applications
Flavoring purposes Asparagus, Beef, Bread, Coffee, Green

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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:
flavoring agents
Recommendation for 2-acetyl-1-methyl pyrrole usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.02 (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 ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -10.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -10.00000
fruit ices: -10.00000
gelatins / puddings: -10.00000
granulated sugar: --
gravies: --
hard candy: -10.00000
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: --
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 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

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):932-16-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61240
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-(1-methylpyrrol-2-yl)ethanone
Chemidplus:0000932161