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2-acetyl-1-pyrroline
ethanone, 1-(3,4-dihydro-2H-pyrrol-5-yl)-

Supplier Sponsors

Name:1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
CAS Number: 85213-22-5Picture of molecule3D/inchi
Nikkaji Web:J487.706C
XlogP3-AA:-0.40 (est)
Molecular Weight:111.14393000
Formula:C6 H9 N O
NMR Predictor:Predict (works with chrome or firefox)
Name:1-(3,4-dihydro-2H-pyrrol-2-yl)ethanone
CAS Number: 99583-29-6Picture of molecule3D/inchi
FDA UNII:IGC0W6LY94
CoE Number:1408
XlogP3-AA:-0.30 (est)
Molecular Weight:111.14393000
Formula:C6 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
PubMed:Search
NCBI:Search
JECFA Food Flavoring: 2-acetyl-1-pyrroline

1604 2-acetyl-1-pyrroline
FLAVIS Number: (Old)

14.080 (Old)
DG SANTE Food Flavourings:14.080 2-acetyl-1-pyrroline
FEMA Number:4249
4249 2-acetyl-1-pyrroline
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):99583-29-6 ; 2-ACETYL-1-PYRROLINE
 
Physical Properties:
Appearance:colorless to yellow solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 19.00 °C. @ 760.00 mm Hg
Boiling Point: 182.00 to 183.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.793000 mmHg @ 25.00 °C. (est)
Flash Point: 151.00 °F. TCC ( 66.11 °C. )
logP (o/w): -0.019 (est)
Soluble in:
 alcohol
 water
 water, 4103 mg/L @ 25 °C (est)
Similar Items:note
acetyl pyrroline
 
Organoleptic Properties:
Odor Type: popcorn
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
popcorn toasted grain malty
Odor Description:at 1.00 % in propylene glycol. popcorn toasted grain malty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethanone,1-(3,4-dihydro-2H-pyrrol-2-yl)-
CHEMSTEP
Ethanone, 1-(3,4-dihydro-2H-pyrrol-2-yl)- (9CI)
Parchem
2-acetyl-1-pyrroline
Penta International
2-ACETYL-1-PYRROLINE
 
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-1-pyrroline 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): 0.10 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 340 (μg/person/day)
Threshold of Concern:540 (μg/person/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: 22
 average usual ppmaverage maximum ppm
baked goods: 2.0000010.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.200001.00000
cheese: 0.400002.00000
chewing gum: --
condiments / relishes: 0.100000.50000
confectionery froastings: 1.000005.00000
egg products: --
fats / oils: 0.100000.50000
fish products: 0.200001.00000
frozen dairy: 0.400002.00000
fruit ices: 0.400002.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.200001.00000
milk products: 0.400002.00000
nut products: --
other grains: 0.200001.00000
poultry: 0.200001.00000
processed fruits: 0.400002.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: 1.000005.00000
soft candy: --
soups: 0.100000.50000
sugar substitutes: --
sweet sauces: --
 
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 2.0000010.00000
Meat and meat products, including poultry and game (08.0): 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.200001.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000005.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
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):

Flavouring Group Evaluation 86, (FGE.86)[1] - Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting) - Scientific Opinion of the Panel on Food Additives - Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 86, Revision 1 (FGE.86Rev1): Consideration of aliphatic and aromatic amines and amides evaluated by JECFA (65th meeting)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 86, Revision 2 (FGE.86Rev2): Consideration of aliphatic and arylalkyl amines and amides evaluated by JECFA (65th meeting)
View page or View pdf

EPI System: View
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :522834
National Institute of Allergy and Infectious Diseases:Data
1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
1-(3,4-dihydro-2H-pyrrol-2-yl)ethanone
Chemidplus:0099583296
 
References:
 1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):522834
Pubchem (sid):135324461
Pherobase:View
 1-(3,4-dihydro-2H-pyrrol-2-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15801179
Pubchem (cas):99583-29-6
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 Substances Added to Food (formerly EAFUS):View
CHEBI:View
HMDB (The Human Metabolome Database):HMDB003130
YMDB (Yeast Metabolome Database):YMDB01451
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
citrus
sweet
orange peel oil c.p. temple florida
FL/FR
coffee
1-
hydroxy-2-butanone
FL/FR
corn chip
popcorn pyrimidine
FL/FR
nutty
3-
acetyl pyridine
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
nutty quinoxaline
FL/FR
sesame absolute
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
2-
acetyl pyridine
FL/FR
2-
acetyl thiazole
FL/FR
2-
acetyl-3,6-dimethyl pyrazine
FL/FR
For Flavor
No flavor group found for these
2-
acetyl-3,6-dimethyl pyrazine
FL/FR
2-
acetyl-5-methyl pyrazine
FL
2-
acetyl-6-methyl pyrazine
FL
ethyl dimethyl pyrazine
FL
2-
propionyl pyrrole
FL
bready
bready
2-
propionyl thiazole
FL
brown
1-
hydroxy-2-butanone
FL/FR
citrus
sweet
orange peel oil c.p. temple florida
FL/FR
corn
2-
acetyl pyridine
FL/FR
2-
acetyl thiazole
FL/FR
2-
acetyl-2-thiazoline
FL
popcorn pyrimidine
FL/FR
meaty
2-
pyridinyl methane thiol
FL
nutty
3-
acetyl pyridine
FL/FR
2-
acetyl-3-ethyl pyrazine
FL/FR
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2-
methyl thio-3,5 or 6-methyl pyrazine
FL/FR
nutty quinoxaline
FL/FR
sesame absolute
FL/FR
roasted
2-
acetyl pyrazine
FL/FR
spicy
white
pepper oleoresin
FL
 
Potential Uses:
FLcereal
FLcheese
FLdairy
FLfish
FRfruit
FRpopcorn
 
Occurrence (nature, food, other):note
 bread wheat bread
Search PMC Picture
 ham
PbMd Search PMC Picture
 hazelnut
Search Trop Picture
 rice black rice cooked
PbMd Search PMC Picture
 rice cooked rice
PbMd Search PMC Picture
 
Synonyms:
1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
1-(4,5-dihydro-3H-pyrrol-2-yl)ethanone
 ethanone, 1-(3,4-dihydro-2H-pyrrol-5-yl)-
 ketone, methyl 1-pyrrolin-2-yl
 

Articles:

Info:FILBERTONE
PubMed:Characterization of odor-active compounds in sweet-type Chinese rice wine by aroma extract dilution analysis with special emphasis on sotolon.
Info:aliphatic and aromatic amines and amides
PubMed:Key aroma compounds in roasted in-shell peanuts.
PubMed:Study to elucidate formation pathways of selected roast-smelling odorants upon extrusion cooking.
PubMed:Characterization of the key odorants in pan-fried white mushrooms (Agaricus bisporus L.) by means of molecular sensory science: comparison with the raw mushroom tissue.
PubMed:Identification of aroma active compounds of cereal coffee brew and its roasted ingredients.
PubMed:Influence of endogenous ferulic acid in whole wheat flour on bread crust aroma.
PubMed:Quantification of 2-acetyl-1-pyrroline in rice by stable isotope dilution assay through headspace solid-phase microextraction coupled to gas chromatography-tandem mass spectrometry.
PubMed:Changes in the key odorants of Italian Hazelnuts ( Coryllus avellana L. Var. Tonda Romana) induced by roasting.
PubMed:Decoding the key aroma compounds of a Hungarian-type salami by molecular sensory science approaches.
PubMed:Comparison of the key aroma compounds in organically grown, raw West-African peanuts (Arachis hypogaea) and in ground, pan-roasted meal produced thereof.
PubMed:Comparison of odor-active compounds from six distinctly different rice flavor types.
PubMed:Aroma components of American country ham.
PubMed:Characterization of volatile aroma compounds in cooked black rice.
PubMed:Effect of cold storage and packaging material on the major aroma components of sweet cream butter.
PubMed:Instrumental and sensory characterization of heat-induced odorants in aseptically packaged soy milk.
PubMed:Characterization of dried whey protein concentrate and isolate flavor.
PubMed:Identification of potent odorants formed during the preparation of extruded potato snacks.
PubMed:Identification of potent odorants in different green tea varieties using flavor dilution technique.
PubMed:Comparison of key aroma compounds in cooked brown rice varieties based on aroma extract dilution analyses.
PubMed:Aroma-active components of nonfat dry milk.
PubMed:Changes in the odorants of boiled carp fillet (Cyprinus carpio L.) as affected by increasing methionine levels in feed.
PubMed:Volatile flavor components of rice cakes.
 
Notes:
None found
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