2-acetyl-1-pyrroline

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CODE158350 CODE158350
Product(s):
99583-29-6 Ethanone,1-(3,4-dihydro-2H-pyrrol-2-yl)-

Penta International Corporation

Chemistry innovation
At Penta, our products and services help businesses do business better.
For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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CODE158350 CODE158350
Product(s):
01-10350 2-ACETYL-1-PYRROLINE

Name:	1-(3,4-dihydro-2H-pyrrol-5-yl)ethanone
CAS Number:	85213-22-5	3D/inchi
FDA UNII:	Search
Nikkaji Web:	J487.706C
XlogP3-AA:	-0.40 (est)
Molecular Weight:	111.14393000
Formula:	C6 H9 N O
NMR Predictor:	Predict (works with chrome, Edge or firefox)
Name:	1-(3,4-dihydro-2H-pyrrol-2-yl)ethanone
CAS Number:	99583-29-6	3D/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, Edge 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
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

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)

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. Update in publication number(s): 29
Click here to view publication 22
		average usual ppm	average maximum ppm
baked goods:		0.01000	0.10000
beverages(nonalcoholic):		0.00100	0.01000
beverages(alcoholic):		0.00100	0.01000
breakfast cereal:		0.01000	0.10000
cheese:		0.00200	0.02000
chewing gum:		-	-
condiments / relishes:		0.01000	0.20000
confectionery froastings:		0.01000	0.10000
egg products:		0.00500	0.05000
fats / oils:		0.00200	0.10000
fish products:		0.00500	0.10000
frozen dairy:		0.00100	0.01000
fruit ices:		-	-
gelatins / puddings:		0.00100	0.01000
granulated sugar:		-	-
gravies:		0.00500	0.10000
hard candy:		0.00400	0.04000
imitation dairy:		0.00100	0.01000
instant coffee / tea:		0.01000	0.10000
jams / jellies:		-	-
meat products:		0.00500	0.10000
milk products:		0.00100	0.01000
nut products:		0.00200	0.02000
other grains:		0.00100	0.01000
poultry:		0.01000	0.10000
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		0.00500	0.10000
snack foods:		0.00500	0.10000
soft candy:		0.00200	0.02000
soups:		0.00100	0.01000
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/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		0.40000	2.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		0.10000	0.50000
Edible ices, including sherbet and sorbet (03.0):		0.40000	2.00000
Processed fruit (04.1):		0.40000	2.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		1.00000	5.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		0.20000	1.00000
Bakery wares (07.0):		2.00000	10.00000
Meat and meat products, including poultry and game (08.0):		0.20000	1.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		0.20000	1.00000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		0.10000	0.50000
Foodstuffs intended for particular nutritional uses (13.0):		0.20000	1.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		-	-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		1.00000	5.00000
Ready-to-eat savouries (15.0):		1.00000	5.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		0.20000	1.00000

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

AIDS Citations:Search

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 2011 (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

Potential Blenders and core components note

For Odor

citrus

sweet

orange peel oil c.p. temple florida
FL/FR

coffee

hydroxy-2-butanone
FL/FR

corn chip

popcorn pyrimidine
FL/FR

nutty

acetyl pyridine
FL/FR

acetyl-3-ethyl pyrazine
FL/FR

acetyl-3-methyl pyrazine
FL/FR

acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR

methyl thio-3,5 or 6-methyl pyrazine
FL/FR

nutty quinoxaline
FL/FR

sesame absolute
FL/FR

popcorn

acetyl pyrazine
FL/FR

acetyl pyridine
FL/FR

acetyl thiazole
FL/FR

acetyl-3,6-dimethyl pyrazine
FL/FR

For Flavor

No flavor group found for these

acetyl-3,6-dimethyl pyrazine
FL/FR

acetyl-5-methyl pyrazine
FL

acetyl-6-methyl pyrazine
FL

ethyl dimethyl pyrazine
FL

propionyl pyrrole
FL

bready

propionyl thiazole
FL

brown

hydroxy-2-butanone
FL/FR

citrus

sweet

orange peel oil c.p. temple florida
FL/FR

corn

acetyl pyridine
FL/FR

acetyl thiazole
FL/FR

acetyl-2-thiazoline
FL

popcorn pyrimidine
FL/FR

meaty

pyridinyl methane thiol
FL

nutty

acetyl pyridine
FL/FR

acetyl-3-ethyl pyrazine
FL/FR

acetyl-3-methyl pyrazine
FL/FR

acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR

methyl thio-3,5 or 6-methyl pyrazine
FL/FR

nutty quinoxaline
FL/FR

sesame absolute
FL/FR

roasted

acetyl pyrazine
FL/FR

spicy

white

pepper oleoresin
FL

Potential Uses:

FL	cereal
FL	cheese
FL	dairy
FL	fish
FR	fruit
FR	popcorn

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