2-acetyl-1-methyl pyrrole
1-methyl-2-acetylpyrrole

Sponsors

Name: 1-(1-methylpyrrol-2-yl)ethanone
CAS Number: 932-16-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 213-247-6
FDA UNII: 6712EFN084
Nikkaji Web: J127.227F
MDL: MFCD00003089
CoE Number: 11373
XlogP3-AA: 0.70 (est)
Molecular Weight: 123.15493000
Formula: C7 H9 N O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome 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
JECFA Food Flavoring: 1306 1-methyl-2-acetylpyrrole
Flavis Number: 14.046 (Old)
DG SANTE Food Flavourings: 14.046 2-acetyl-1-methylpyrrole
FEMA Number: 3184 1-methyl-2-acetylpyrrole
FDA Mainterm: 1-METHYL-2-ACETYLPYRROLE
 
Physical Properties:
Appearance: colorless to yellow orange clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 1.03700 to 1.04200 25.00 °C.
Pounds per Gallon - (est).: 8.629 to 8.670
Refractive Index: 1.53900 to 1.54500 @ 20.00 °C.
Boiling Point: 200.00 to 202.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.292000 mm/Hg @ 25.00 °C. (est)
Flash Point: 155.00 °F. TCC ( 68.33 °C. )
logP (o/w): 1.387 (est)
Soluble in:
 water, 1.109e+004 mg/L @ 25 °C (est)
Similar Items: note
2-acetyl-5-methyl pyrrole
 
Organoleptic Properties:
Odor Type: earthy
Odor Strength: medium
 earthy
Odor Description:
at 100.00 %.
earthy
Flavor Type: nutty
 nutty floral fruity smoky musty
Taste Description:
nutty floral fruity smoky musty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Anhui Suzhou Jinli Aromatic Chemicals
N-Methyl-2-acetyl pyrrole
Odor: roastnut, almond, coffee
Beijing Lys Chemicals
2-Acetyl-1-methylpyrrole
BOC Sciences
For experimental / research use only.
2-Acetyl-1-methylpyrrole
H. Interdonati, Inc.
n-Methyl-2-acetylpyrrole Kosher
Featured Products
Jiangyin Healthway
N-methyl-2-acetyl pyrrole
New functional food ingredients
Jinan Enlighten Chemical Technology(Wutong Aroma )
N-Methyl-2-acetyl pyrrole, Kosherk
M&U International
2-ACETYL-1-METHYLPYRROLE, Kosher
Matrix Scientific
For experimental / research use only.
2-Acetyl-1-methylpyrrole, 98%
Penta International
1-METHYL-2-ACETYLPYRROLE, Kosher
Reincke & Fichtner
2-Methyl-2-acetylpyrrole
Santa Cruz Biotechnology
For experimental / research use only.
2-Acetyl-1-methylpyrrole
Sigma-Aldrich
2-Acetyl-1-methylpyrrole, ≥98%, FG
Certified Food Grade Products
Sunaux International
N-Methyl-2-acetylpyrrole
Synerzine
2-Acetyl-1-Methylpyrrole
also named 1-Methyl-2-Acetylpyrrole, 2-Acetyl-N-Methylpyrrole
TCI AMERICA
For experimental / research use only.
2-Acetyl-1-methylpyrrole >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
2-Acetyl-1-methyl Pyrrole
Tengzhou Xiang Yuan Aroma Chemicals
2-Acetyl-1-methyl Pyrrole
 
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
 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
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
 
References:
 1-(1-methylpyrrol-2-yl)ethanone
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 932-16-1
Pubchem (cid): 61240
Pubchem (sid): 135019019
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (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
 
Potential Blenders and core components note
For Odor
floral
champaca absolute
FR
dimethyl benzyl carbinyl propionate
FR
tea acetate
FR
herbal
arnica flower oil
FR
woody
cyperus root oil (cyperus rotundus)
FR
(-)-
guaiol
FR
For Flavor
No flavor group found for these
benzyl disulfide
FL
coffee
coffee
2,4-
dimethyl thiazole
FL
green
propylene glycol acetone ketal
FL
 
Potential Uses:
 asparagus 
 beefFL
 breadFL
 coffeeFL
 greenFL
 
Occurrence (nature, food, other): note
 asparagus
Search Trop Picture
 beef
Search PMC Picture
 bread
Search PMC Picture
 coffee robusta - 2.6 ppm
Search Trop Picture
 tea green tea
Search Trop Picture
 
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
 
 
Notes:
Flavouring ingredient
 
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