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2-acetyl-5-methyl pyrrole
1-(5-methyl-1H-pyrrol-2-yl)ethanone

Supplier Sponsors

Name:1-(5-methyl-1H-pyrrol-2-yl)ethanone
CAS Number: 6982-72-5Picture of molecule3D/inchi
Nikkaji Web:J40.163C
XlogP3-AA:1.10 (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
FLAVIS Number:14.085 (Old)
DG SANTE Food Flavourings:14.085 2-acetyl-5-methylpyrrole
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 88.00 °C. @ 760.00 mm Hg
Boiling Point: 234.00 to 235.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.040000 mm/Hg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.60 °C. ) (est)
logP (o/w): 1.337 (est)
Soluble in:
 alcohol
 water, 1.109e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
2-acetyl-1-methyl pyrrole
 
Organoleptic Properties:
Odor Type: earthy
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
earthy roasted
Odor Description:at 0.10 % in propylene glycol. earthy roasted
Flavor Type: bitter
bitter earthy roasted
Taste Description: bitter earthy roasted
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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-5-methyl pyrrole usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 400 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
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): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
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):

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

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13220327
National Institute of Allergy and Infectious Diseases:Data
1-(5-methyl-1H-pyrrol-2-yl)ethanone
 
References:
 1-(5-methyl-1H-pyrrol-2-yl)ethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):13220327
Pubchem (sid):126500814
 
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
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
gentiana lutea root extract
FL/FR
sulfuryl octanoate
FL/FR
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
sulfuryl propionate
FL/FR
caramellic
caramellic
fenugreek oleoresin
FL/FR
chocolate
chocolate pyrazine A
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
citrus
2-
heptanol
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
theobroma cacao extract
FL/FR
coffee
cichorium intybus root solid extract
FL/FR
coffee difuran
FL/FR
furfuryl mercaptan
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
corn chip
popcorn pyrimidine
FL/FR
earthy
nutty pyrazine
FL/FR
green
2-
heptyl furan
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
filbert heptenone
FL/FR
methoxymethyl pyrazine
FL/FR
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
nutty quinoxaline
FL/FR
2,4,5-
trimethyl oxazole
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
popcorn
2-
acetyl thiazole
FL/FR
roasted
fenugreek resinoid
FL/FR
2-
methyl-1-butanol
FL/FR
sulfurous
cocoa essence
FL/FR
ethyl 3-mercaptobutyrate
FL/FR
fish thiol
FL/FR
furfuryl thioacetate
FL/FR
2-
mercaptopropionic acid
FL/FR
woody
2-
methoxy-4-vinyl phenol
FL/FR
For Flavor
No flavor group found for these
benzyl methyl sulfide
FL
1,2-
butane dithiol
FL
2-
butenoic acid
FL
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
2-iso
butyl-4,5-dimethyl oxazole
FL
2(4)-iso
butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL
chocolate pyrazine A
FL/FR
chocolate pyrazine B
FL
3,6-
diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL
6,7-
dihydro-2,3-dimethyl-5H-cyclopentapyrazine
FL
dimethyl dihydrocyclopentapyrazine
FL
2,5-
dimethyl thiazole
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
2-
ethoxy-3-isopropyl pyrazine
FL
ethyl 3-mercaptobutyrate
FL/FR
3-(
ethyl thio) butanol
FL
2-
ethyl-3-methyl thiopyrazine
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
1-(3-
hydroxy-5-methyl-2-thienyl) ethanone
FL
3-
mercapto-3-methyl butyl formate
FL
4-
methoxybenzoyl oxyacetic acid
FL
methyl 2-(methyl thio) acetate
FL
methyl methane thiosulfonate
FL
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-1-butanol
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
1-
phenyl-3(5)-propyl pyrazole
FL
3-iso
propenyl pentane dioic acid
FL
2-
propionyl pyrrole
FL
propionyl pyrroline 1% in vegatable oil triglyceride
FL
propyl propane thiosulfonate
FL
pyrazine
FL
pyrazines mixture
FL
sodium methoxybenzoyl oxyacetate
FL
sulfuryl butyrate
FL/FR
sulfuryl decanoate
FL/FR
sulfuryl hexanoate
FL/FR
sulfuryl isobutyrate
FL/FR
thioacetic acid
FL
5-
acetyl-2,3-dihydro-1,4-thiazine
FL
S-
allyl-laevo-cysteine
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
(±)-3-(
methyl thio) heptanal
FL
3-(
methyl thio) methyl thiophene
FL
2-
methyl-1-methyl thio-2-butene
FL
4-
pentenal
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
sulfuryl formate
FL
sulfuryl octanoate
FL/FR
sulfuryl propionate
FL/FR
1-(2-
thienyl) butanone
FL
alliaceous
alliaceous
allyl mercaptan
FL
3-
mercapto-2-pentanone
FL
bitter
methyl ethoxypyrazine
FL
brown
fenugreek oleoresin
FL/FR
juglans nigra hulls extract
FL
juglans nigra shell extract
FL
burnt
tea pyrrole
FL
2,4,5-
trimethyl oxazole
FL/FR
caramellic
fenugreek resinoid
FL/FR
chemical
2,5-
dimethyl furan
FL
chocolate
cocoa essence
FL/FR
cocoa
chocolate enhancers
FL
cocoa distillates
FL
theobroma cacao extract
FL/FR
coffee
cichorium intybus root solid extract
FL/FR
coffee difuran
FL/FR
coffee enhancers
FL
2,4-
dimethyl thiazole
FL
furfuryl mercaptan
FL/FR
methyl furfuryl thiol
FL
2-
thiophene thiol
FL
corn chip
2-
acetyl thiazole
FL/FR
popcorn pyrimidine
FL/FR
creamy
2,5-
dimethyl-3-thioisovaleryl furan
FL
fatty
4,5-
dimethyl-2-propyl oxazole
FL
2-
heptyl furan
FL/FR
fishy
4,5-
dimethyl thiazole
FL
fruity
2-
heptanol
FL/FR
green
2,5-
dimethyl-4-ethyl oxazole
FL
gentiana lutea root extract
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
(R,S)-2-
mercapto-3-butanol
FL
3-
mercapto-3-methyl butanol
FL
2-
mercaptomethyl pyrazine
FL
2-
mercaptopropionic acid
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
propyl 2-mercaptopropionate
FL
2-
pyridinyl methane thiol
FL
thialdine
FL
mustard
furfuryl methyl ether
FL
musty
2,5-
dimethyl pyrazine
FL/FR
2-
ethoxythiazole
FL
hazelnut pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-3-methyl pyrazine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
2-
acetyl-3,5(or 6)-dimethyl pyrazine
FL/FR
2-
butyl-2-butenal
FL
3,6-
cocoa pyrazine
FL/FR
3,5-
cocoa pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2-
ethyl-6-methyl pyrazine
FL
filbert heptenone
FL/FR
2-
methoxy-3-methyl pyrazine
FL/FR
methoxymethyl pyrazine
FL/FR
2-
methyl pyrazine
FL/FR
5-
methyl quinoxaline
FL/FR
nutty pyrazine
FL/FR
nutty quinoxaline
FL/FR
nutty thiazole
FL
sesame distillates
FL
2,4,5-
trimethyl thiazole
FL/FR
phenolic
2-
ethyl benzene thiol
FL
popcorn
2-
propionyl-2-thiazoline
FL
roasted
3,5-
diisobutyl-1,2,4-trithiolane
FL
furfuryl thioacetate
FL/FR
gluconyl ethanolamine
FL
gluconyl ethanolamine phosphate
FL
hexyl mercaptan
FL
lactoyl ethanolamine
FL
lactoyl ethanolamine phosphate
FL
methyl isopentyl disulfide
FL
smoky
2-
methoxy-4-vinyl phenol
FL/FR
sulfurous
fish thiol
FL/FR
methyl 2-methyl-3-furyl disulfide
FL
roasted butanol
FL
2-
thienyl mercaptan
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
winey
5-
ethyl-2-methyl pyridine
FL
 
Potential Uses:
FLcoffee
FLmeat
 
Occurrence (nature, food, other):note
 coffee - 0.3 mg/kg
Search PMC Picture
 malt - 0.02 mg/kg
Search PMC Picture
 
Synonyms:
2-acetyl-5-methylpyrrole
 ethanone, 1-(5-methyl-1H-pyrrol-2-yl)-
5-methyl pyrrol-2-yl ketone
1-(5-methyl pyrrol-2-yl) ethanone
1-(5-methyl-1H-pyrrol-2-yl)ethanone
 

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