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2-acetyl pyrrole
methyl 2-pyrrolyl ketone

Sponsors

CAS Number: 1072-83-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-016-2
FDA UNII:9K28W7PM6N
Nikkaji Web:J80.142I
Beilstein Number:0001882
MDL:MFCD00005220
CoE Number:11721
XlogP3:0.90 (est)
Molecular Weight:109.12799000
Formula:C6 H7 N O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1307 methyl 2-pyrrolyl ketone
FLAVIS Number:14.047 (Old)
DG SANTE Food Flavourings:14.047 2-acetylpyrrole
FEMA Number:3202 2-acetylpyrrole
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 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 mm/Hg @ 25.00 °C. (est)
Flash Point:> 212.00 °F. TCC ( > 100.00 °C. )
logP (o/w): 0.930
Soluble in:
 alcohol
 water, 1.759e+004 mg/L @ 25 °C (est)
 water, 1.76E+04 mg/L @ C (exp)
Stability:
 antiperspirant, fair
 concentrated fabric softener, fair
 hypochlorite bleach, fair
 liquid detergent, fair
 perborate powder detergent, good
 soap, good
 
Organoleptic Properties:
Odor Type: musty
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
musty nut skin cherry maraschino cherry coumarinic licorice bready walnut bready
Odor Description:at 1.00 % in dipropylene glycol. musty nut skin maraschino cherry coumarinic licorice walnut bready
Odor sample from: R C Treatt and Co Ltd
musty nutty coumarinic
Odor Description:Musty, nutty-like with a coumarin nuance
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
Flavor Type: nutty
">sweet fruity musty cherry nutty wasabi mustard tea
Taste Description: sweet fruity musty cherry nutty wasabi mustard tea
sweet musty nutty tea
Taste Description: at 10.00 ppm. Sweet, musty, nutty and tea-like
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
Odor and/or flavor descriptions from others (if found).
Takasago
2-Acetyl Pyrrole ≥98% as 2-Acetyl-1H-pyrrole
Odor Description:Walnut and licorice-like
Used in flavors for tobacco and roasted foods.
Taste Description:sweet musty nut tea
Treatt
2-Acetylpyrrole Halal, Kosher
Odor Description:Bread, walnut, and important in liquorice
Taste Description:nutty
Used in flavours for beverages at 3ppm, and desserts at 2ppm, and in processed foods at 20-50ppm.
Moellhausen
2-ACETYL PYRROLE
Odor Description:nut, sweet, licorice
Taste Description:sweet, tea
 
Cosmetic Information:
None found
 
Suppliers:
Advanced Biotech
2 ACETYL PYRROLE
Anhui Haibei
2-Acetyl Pyrrole
Odor: Musty nutty coumarin licorice walnut bread
Anhui Suzhou Jinli Aromatic Chemicals
2-Acetyl Pyrrole
Odor: nut, liquorice, baked bread, fish
Apiscent Labs
2 ACETYLPYRROLE (Methyl-2-pyrrolyl ketone)
Odor: nut, licorice, toast, fish
Beijing Lys Chemicals
2-Acetyl pyrrole
BOC Sciences
For experimental / research use only.
2-Acetylpyrrole
Charkit Chemical
ACETYLPYRROLE, 2-
DeLong Chemicals America
2-Acetylpyrrole, Kosher
EMD Millipore
For experimental / research use only.
2-Acetylpyrrole
Endeavour Specialty Chemicals
2-Acetylpyrrole 98% F&F
Speciality Chemical Product Groups
Ernesto Ventós
2-ACETYL PYRROLE
Odor: NUT, LIQUORICE, TOAST, FISH
FCI SAS
2-ACETYL PYRROLE
Odor: Nut, liquorice, fish
Jiangyin Healthway
2-Acetyl Pyrrole
New functional food ingredients
Jinan Enlighten Chemical Technology(Wutong Aroma )
2-Acetyl pyrrole, Kosherk
Lluch Essence
2-ACETYL PYRROLE
Odor: SWEET, MUSTY, NUT LIKE
M&U International
2-ACETYL PYRROLE, Kosher
Moellhausen
2-ACETYL PYRROLE
Odor: nut, sweet, licorice
Flavor: sweet, tea
OQEMA
2-Acetyl Pyrrole
Penta International
2-ACETYL PYRROLE NATURAL 5% IN P.G.
Penta International
2-ACETYLPYRROLE FCC, Kosher
Penta International
2-ACETYLPYRROLE NATURAL 5% IN ETHYL ALCOHOL, Kosher
Reincke & Fichtner
Methyl-2-pyrrolyl Ketone
Robinson Brothers
2-Acetylpyrrole F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich
Methyl 2-pyrrolyl ketone, ≥98%, FG
Odor: walnut
Certified Food Grade Products
Soda Aromatic
2-acetyl Pyrrole
Sunaux International
2-Acetyl Pyrrole
Synerzine
2-Acetyl Pyrrole
FEMA name Methyl 2-Pyrrolyl Ketone,but seldom used
Takasago
2-Acetyl Pyrrole
≥98% as 2-Acetyl-1H-pyrrole
Odor: Walnut and licorice-like
Use: Used in flavors for tobacco and roasted foods.
The Fragrance Museum
TCI AMERICA
For experimental / research use only.
2-Acetylpyrrole >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
2-Acetyl Pyrrole
Tengzhou Xiang Yuan Aroma Chemicals
2-Acetyl Pyrrole
Treatt
2-Acetylpyrrole
Halal, Kosher
Odor: Bread, walnut, and important in liquorice
Flavor: nutty
Used in flavours for beverages at 3ppm, and desserts at 2ppm, and in processed foods at 20-50ppm.
 
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
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
 average usual ppmaverage 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
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center: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
 
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 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
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
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
bready
coffee furanone
FL/FR
furfural
FL/FR
camphoreous
butyrophenone
FL/FR
caramellic
maltol
FL/FR
shoyu furanone
FL/FR
toffee furanone
FL/FR
chocolate
chocolate pyrazine A
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
coumarinic
coumane
FL/FR
earthy
nutty pyrazine
FL/FR
floral
para-
methyl acetophenone
FL/FR
bitter
orangeflower concrete morocco
FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
fruity
bread thiophene
FL/FR
cherry propanol
FL/FR
3-
methyl-2-butenal
FL/FR
herbal
saffron pyranone
FR
medicinal
quinoline
CS
minty
dextro-
carvone
FL/FR
musty
3-
acetyl-2,5-dimethyl furan
FL/FR
hazelnut pyrazine
FL/FR
menthofuran
FL/FR
naphthyl
ortho-
methyl anisole
FL/FR
nutty
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-5-methyl furan
FL/FR
3,5-
cocoa pyrazine
FL/FR
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl pyrazine
FL/FR
filbert pyrazine
FL/FR
2,6-
lutidine
FL/FR
maraniol
CS
5-
methyl quinoxaline
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
nutty cyclohexenone
FL/FR
nutty quinoxaline
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
spicy
caraway seed oleoresin
FL/FR
tonka
coumarin
FR
tonka bean absolute
FR
woody
4-
hydroxybenzaldehyde
FL/FR
yeasty
laevo-
glutamic acid
CS
For Flavor
No flavor group found for these
acetyl acetaldehyde dimethyl acetal
FL
(E)-
aconitic acid
FL
butyrophenone
FL/FR
chocolate pyrazine A
FL/FR
chocolate pyrazine B
FL
coumane
FL/FR
cyclohexyl methyl pyrazine
FL
2,5-
diethyl thiazole
FL
2-
methyl-3-ethoxypyrazine
FL/FR
bready
bready
2-
propionyl thiazole
FL
brown
furfural
FL/FR
burnt
furfuryl alcohol
FL
camphoreous
ortho-
methyl anisole
FL/FR
caramellic
maltol
FL/FR
shoyu furanone
FL/FR
toffee furanone
FL/FR
cocoa
butyraldehyde
FL
coffee
diisoamyl thiomalate
FL
corn chip
2-
acetyl-2-thiazoline
FL
creamy
4-
hydroxybenzaldehyde
FL/FR
para-
methyl acetophenone
FL/FR
fruity
bread thiophene
FL/FR
cherry propanol
FL/FR
3-
methyl-2-butenal
FL/FR
2-
phenyl propionaldehyde dimethyl acetal
FL/FR
metallic
2,5-
dihydroxy-1,4-dithiane
FL
minty
dextro-
carvone
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
hazelnut pyrazine
FL/FR
menthofuran
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
nutty
3-
acetyl-2,5-dimethyl furan
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-5-methyl furan
FL/FR
3,5-
cocoa pyrazine
FL/FR
coffee furanone
FL/FR
2,3-
dimethyl pyrazine
FL/FR
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
ethyl pyrazine
FL/FR
filbert pyrazine
FL/FR
2,6-
lutidine
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
nutty cyclohexenone
FL/FR
nutty pyrazine
FL/FR
nutty quinoxaline
FL/FR
nutty thiazole
FL
peanut oxazole
FL
2,3,5,6-
tetramethyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
roasted
2-
acetyl pyrazine
FL/FR
spicy
caraway seed oleoresin
FL/FR
waxy
furfuryl octanoate
FL
 
Potential Uses:
FLbread
 chocolate cocoa
FRcoffee
FRlicorice
FRmalt
FRpeanut
FRpopcorn
FLsugar brown sugar
FLtea
FRtobacco
FLwalnut
 
Occurrence (nature, food, other):note
 almond roasted almond
Search Trop Picture
 asparagus
Search Trop Picture
 beef cooked beef
Search PMC Picture
 beef roasted beef
Search PMC Picture
 chicken cooked chicken
Search PMC Picture
 chicory root oil @ 0.096%
Data GC Search Trop Picture
 cichorium intybus l. root extract @ 3.77%
Data GC Search Trop Picture
 cocoa
Search Trop Picture
 coconut
Search Trop Picture
 coffee
Search PMC Picture
 licorice
Search PMC Picture
 malt
Search PMC Picture
 mustard white mustard
Search Trop Picture
 peanut
Search Trop Picture
 popcorn
Search PMC Picture
 pork cooked pork
Search PMC Picture
 potato baked potato
Search Trop Picture
 potato chip
Search PMC Picture
 potato roasted potato
Search Trop Picture
 sesame seed
Search Trop Picture
 soybean
Search Trop Picture
 tea leaf
Search Trop Picture
 tea plant
Search Trop Picture
 tobacco leaf
Search Trop Picture
 whiskey malt whiskey
Search Picture
 
Synonyms:
2-acetopyrrole
2-acetyl-1H-pyrrole
2-acetylpyrrole
2 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
 
 
Notes:
Organoleptic which contributes to many aromas, including roasted filbert. Present in cooked apple, asparagus, wheat bread, tea, roasted peanut, popcorn, potato chips, licorice, Chinese boxthorn and other foodstuffs
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