EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

2-propionyl pyrrole
2-propionylpyrrole

Sponsors

Name:1-(1H-pyrrol-2-yl)propan-1-one
CAS Number: 1073-26-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-026-7
FDA UNII:HGS11XF57F
Nikkaji Web:J87.529E
Beilstein Number:0108936
MDL:MFCD01696449
CoE Number:11942
XlogP3:1.40 (est)
Molecular Weight:123.15493000
Formula:C7 H9 N O
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
JECFA Food Flavoring:1319 2-propionylpyrrole
FLAVIS Number:14.068 (Old)
DG SANTE Food Flavourings:14.068 2-propionylpyrrole
FEMA Number:3614 2-propionylpyrrole
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 2-PROPIONYLPYRROLE
 
Physical Properties:
Appearance:white crystals (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 43.00 to 45.00 °C. @ 760.00 mm Hg
Boiling Point: 230.00 to 232.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.051000 mm/Hg @ 25.00 °C. (est)
Flash Point: 215.00 °F. TCC ( 101.67 °C. )
logP (o/w): 1.420 (est)
Soluble in:
 alcohol
 water, slightly
 water, 1.238e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: popcorn
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
roasted popcorn
Odor Description:at 1.00 % in dipropylene glycol. roast popcorn
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Propionylpyrrole
Endeavour Specialty Chemicals
2-Propionylpyrrole 98% F&F
Speciality Chemical Product Groups
Parchem
2-propionyl pyrrole
Penta International
2-PROPIONYL PYROLLE, Kosher
Robinson Brothers
2-Propionylpyrrole F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
2-Propionylpyrrole
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Propionylpyrrole
Treatt
2-Propionylpyrrole
Halal, Kosher
 
Safety Information:
Preferred SDS: View
 
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:
oral-mouse LD50 [sex: M,F] 1620 mg/kg
(Moran et al., 1980)

oral-mouse LD50 1620 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-propionyl pyrrole usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 2.00 (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: 12
 average usual ppmaverage maximum ppm
baked goods: -0.20000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: -0.20000
cheese: -0.10000
chewing gum: --
condiments / relishes: --
confectionery froastings: -0.20000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -0.20000
hard candy: -0.20000
imitation dairy: -0.10000
instant coffee / tea: --
jams / jellies: --
meat products: -0.10000
milk products: --
nut products: -0.10000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: -0.10000
soft candy: --
soups: -0.10000
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 ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61260
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-(1H-pyrrol-2-yl)propan-1-one
Chemidplus:0001073263
 
References:
 1-(1H-pyrrol-2-yl)propan-1-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1073-26-3
Pubchem (cid):61260
Pubchem (sid):135017015
Flavornet:1073-26-3
 
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
HMDB (The Human Metabolome Database):HMDB32492
FooDB:FDB010140
Export Tariff Code:2933.99.8090
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
caramellic
geranyl crotonate
FR
corn chip
popcorn pyrimidine
FL/FR
herbal
acorn acetate
FR
nutty
3-
acetyl pyridine
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
filbert pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
nutty quinoxaline
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
2-
acetyl pyridine
FL/FR
2-
acetyl thiazole
FL/FR
sulfurous
dimethyl sulfide
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-5-methyl pyrazine
FL
2-
acetyl-6-methyl pyrazine
FL
ethyl dimethyl pyrazine
FL
ammoniacal
ammoniacal
2-
methyl piperidine
FL
bready
2-
propionyl thiazole
FL
corn
2-
acetyl pyridine
FL/FR
2-
acetyl thiazole
FL/FR
2-
acetyl-2-thiazoline
FL
popcorn pyrimidine
FL/FR
malty
yeast thiazoline
FL
nutty
3-
acetyl pyridine
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
filbert pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
nutty quinoxaline
FL/FR
roasted
2-
acetyl pyrazine
FL/FR
sulfurous
dimethyl sulfide
FL/FR
 
Potential Uses:
FLpopcorn
 
Occurrence (nature, food, other):note
 cocoa roasted cocoa
Search Trop Picture
 coffee
Search PMC Picture
 filbert roasted filbert
Search Trop Picture
 peanut roasted peanut
Search Trop Picture
 pork cooked pork
Search PMC Picture
 tea green tea
Search Trop Picture
 
Synonyms:
 ethyl 2-pyrrolyl ketone
1-propanone, 1-(1H-pyrrol-2-yl)-
1-propanone, 1-pyrrol-2-yl-
2-propionyl pyrolle
alpha-propionyl pyrrole
2-propionylpyrrole
a-propionylpyrrole
1-(1H-pyrrol-2-yl) propan-1-one
1-(1H-pyrrol-2-yl)-1-propanone
1-(1H-pyrrol-2-yl)propan-1-one
1-pyrrol-2-ylpropan-1-one
 pyrrole, 2-propionyl
1H-pyrrole, 2-propionyl
1-2-pyrrolyl-1-propanone
1-(2-pyrrolyl)-1-propanone
 

Articles:

Info:aliphatic and aromatic amines and amides derivatives
PubMed:Evaluation of process parameters governing the aroma generation in three hazelnut cultivars (Corylus avellana L.) by correlating quantitative key odorant profiling with sensory evaluation.
PubMed:Study to elucidate formation pathways of selected roast-smelling odorants upon extrusion cooking.
PubMed:Characterization of the aroma signature of styrian pumpkin seed oil ( Cucurbita pepo subsp. pepo var. Styriaca) by molecular sensory science.
PubMed:Structure of methyl 5-phenyl-2-propionyl-3-pyrrolecarboxylate.
PubMed:Delineation of the intimate details of the backbone conformation of pyridine nucleotide coenzymes in aqueous solution.
 
Notes:
Used as a food additive [EAFUS]
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