2-acetyl-2-pyrroline
1-(2,3-dihydro-1H-pyrrol-5-yl)ethanone
 
Notes:
Key flavour/aroma component of cooked rice, wheatbread crust, popcorn, sweetcorn and roasted sesame
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CAS Number: 1314926-27-6Picture of molecule3D/inchi
Nikkaji Web: J668.743A
XlogP3-AA: 0.70 (est)
Molecular Weight: 111.14393000
Formula: C6 H9 N O
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 252.00 to  253.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.019000 mmHg @ 25.00 °C. (est)
Flash Point: 261.00 °F. TCC ( 127.22 °C. )
logP (o/w): -0.686 (est)
Soluble in:
 alcohol
 water
 water, 3.942e+005 mg/L @ 25 °C (est)
Similar Items: note
2-acetyl-1-pyrroline
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Organoleptic Properties:
 
Odor Type: roasted
 
 nutty  roasted  ham  sweet  
Odor Description:
at 10.00 % in propylene glycol. 
nutty roasted ham sweet
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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
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Safety in Use Information:
Category: natural substances and extractives
Recommendation for 2-acetyl-2-pyrroline usage levels up to:
 not for fragrance use.
 
Recommendation for 2-acetyl-2-pyrroline flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 6429016
National Institute of Allergy and Infectious Diseases: Data
 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanone
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References:
 1-(2,3-dihydro-1H-pyrrol-5-yl)ethanone
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 6429016
Pubchem (sid): 10545042
Flavornet: 1314926-27-6
Pherobase: View
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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
HMDB (The Human Metabolome Database): HMDB31308
FooDB: FDB003364
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 sulfuryl octanoateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl propionateFL/FR
caramellic
isopropenyl pyrazineFL/FR
chocolate
2,5-dimethyl pyrazineFL/FR
green
2-heptyl furanFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
 methoxymethyl pyrazineFL/FR
 nutty quinoxalineFL/FR
 sesame absoluteFL/FR
sulfurous
 furfuryl thioacetateFL/FR
 
For Flavor
 
No flavor group found for these
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
6,7-dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl pyrazine and 2,6-dimethyl pyrazine mixtureFL
2,5-dimethyl thiazoleFL
 methyl 2-(methyl thio) acetateFL
 pyrazines mixtureFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
5-acetyl-2,3-dihydro-1,4-thiazineFL
 sulfuryl formateFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
burnt
isopropenyl pyrazineFL/FR
fatty
2-heptyl furanFL/FR
fishy
4,5-dimethyl thiazoleFL
fruity
2-ethyl-2,5-dihydro-4-methyl thiazoleFL
musty
2,5-dimethyl pyrazineFL/FR
2-ethoxythiazoleFL
nutty
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 arachis hypogaea fruit extractFL
3,6-cocoa pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
 methoxymethyl pyrazineFL/FR
 nutty quinoxalineFL/FR
 sesame absoluteFL/FR
popcorn
2-propionyl-2-thiazolineFL
roasted
3,5-diisobutyl-1,2,4-trithiolaneFL
 furfuryl thioacetateFL/FR
 
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Potential Uses:
 cerealFL
 cheeseFL
 dairyFL
 fishFL
 fruitFR
 meatFL
 popcornFL
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Occurrence (nature, food, other): note
 bread crust
Search  PMC Picture
 cheese cheddar cheese
Search  PMC Picture
 popcorn
Search  PMC Picture
 rice cooked rice
Search  PMC Picture
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Synonyms:
 acetyl pyrroline
1-(2,3-dihydro-1H-pyrrol-5-yl)ethanone
 ethanone, 1-(2,3-dihydro-1H-pyrrol-5-yl)-
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