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

1-methyl pyrrole
1H-pyrrole, 1-methyl-

Sponsors

Name:1-methylpyrrole
CAS Number: 96-54-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:202-513-7
FDA UNII:NG5GPN98ZG
Nikkaji Web:J40.162E
Beilstein Number:0104181
MDL:MFCD00005345
CoE Number:2217
XlogP3:1.20 (est)
Molecular Weight:81.11779000
Formula:C5 H7 N
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
No longer supported by Industry (EFSA, 2011).
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
 
Physical Properties:
Appearance:colorless to brown clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90200 to 0.91400 @ 25.00 °C.
Pounds per Gallon - (est).: 7.506 to 7.605
Refractive Index:1.48200 to 1.49000 @ 20.00 °C.
Melting Point: -57.00 °C. @ 760.00 mm Hg
Boiling Point: 112.00 to 113.00 °C. @ 760.00 mm Hg
Vapor Pressure:25.591000 mm/Hg @ 25.00 °C. (est)
Vapor Density:2.8 ( Air = 1 )
Flash Point: 59.00 °F. TCC ( 15.00 °C. )
logP (o/w): 1.210
Soluble in:
 alcohol
 water, 1.206e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
smoky woody herbal
Odor Description:at 1.00 % in dipropylene glycol. powerful smoky woody herbal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
1-Methylpyrrole
Penta International
N-METHYL PYRROLE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
N-Methylpyrrole ≥99%
Sigma-Aldrich
1-Methylpyrrole, ≥99%
Odor: herbaceous; smoky; woody
Certified Food Grade Products
Synerzine
1-Methyl Pyrrole
TCI AMERICA
For experimental / research use only.
1-Methylpyrrole >99.0%(GC)
Tengzhou Xiang Yuan Aroma Chemicals
N-Methyl Pyrrole
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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 1-methyl pyrrole usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.30 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 670 (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): 4.000002.00000
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): 0.300001.50000
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

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
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):96-54-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7304
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
1-methylpyrrole
Chemidplus:0000096548
RTECS:UX9640000 for cas# 96-54-8
 
References:
 1-methylpyrrole
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:96-54-8
Pubchem (cid):7304
Pubchem (sid):134972539
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB33113
FooDB:FDB011113
Export Tariff Code:2933.90.9500
Haz-Map:View
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
amber
angelica archangelica root oil CO2 extract
FL/FR
balsamic
dextro,laevo-iso
borneol
FL/FR
iso
bornyl acetate
FL/FR
iso
bornyl propionate
FL/FR
camphoreous
dextro-
camphor
FL/FR
chocolate
vanillyl ethyl ether
FL/FR
coffee
furfuryl mercaptan
FL/FR
earthy
2-
octanone
FL/FR
floral
iso
amyl salicylate
FL/FR
(Z)-
jasmone
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
petitgrain bigarade oil
FL/FR
prenyl salicylate
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
green
iso
cyclocitral (IFF)
FL/FR
3,7-
dimethyl-6-octenoic acid
FL/FR
para-
methyl hydratropaldehyde
FL/FR
hay
tobacco leaf absolute
FL/FR
herbal
angelica archangelica seed extract
FL/FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
beta-
bourbonene
FL/FR
alpha-
cadinol
FL/FR
coriander oleoresin
FL/FR
dill seed oil
FL/FR
dill seed oil CO2 extract
FL/FR
immortelle flower oil
FL/FR
lavandin water absolute
FL/FR
2-
methyl butyl salicylate
FL/FR
curled
parsley leaf oil
FL/FR
alpha-
pinene
FL/FR
pinocarveol
FL/FR
tea leaf absolute
FL/FR
thyme oil wild or creeping
FL/FR
thymyl methyl ether
FL/FR
leathery
castoreum absolute
FL/FR
minty
pennyroyal oil
FL/FR
musk
angelica root absolute
FL/FR
orris
para-iso
propyl acetophenone
FL/FR
phenolic
2,3-
dimethyl benzofuran
FL/FR
ortho-
guaiacol
FL/FR
4-
methyl-2,6-dimethoxyphenol
FL/FR
2-
propyl phenol
FL/FR
2,5-
xylenol
FL/FR
smoky
birch tar oil
FL/FR
2,6-
dimethoxyphenol
FL/FR
alpha-
ethoxy-ortho-cresol
FL/FR
4-
ethyl phenol
FL/FR
pyroligneous acids
FL/FR
pyroligneous acids hickory
FL/FR
spicy
cinnamon acrolein
FL/FR
cubeb oil
FL/FR
black
currant bud absolute
FL/FR
4-
ethyl guaiacol
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
ginger root oil cochin
FL/FR
myrcene
FR
2-
octanol
FL/FR
black
pepper absolute
FL/FR
black
pepper oil
FL/FR
white
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
pepper tree berry oil
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
thujonic
common
tansy flower oil argentina
FL/FR
woody ketone
FL/FR
woody
angelica archangelica root extract
FL/FR
angelica archangelica root tincture
FL/FR
angelica archangelica root water
FL/FR
cadinene
FL/FR
(+)-
camphene
FL/FR
camphene
FL/FR
cistus twig/leaf oil
FL/FR
guaiacyl acetate
FL/FR
polylimonene
FL/FR
spruce needle oil canada
FL/FR
For Flavor
No flavor group found for these
angelica archangelica root extract
FL/FR
angelica archangelica root oil CO2 extract
FL/FR
angelica archangelica root tincture
FL/FR
angelica archangelica root water
FL/FR
benzyl disulfide
FL
birch tar oil
FL/FR
bornyl 2-methyl butyrate
FL/FR
bornyl butyrate
FL/FR
beta-
bourbonene
FL/FR
alpha-
cadinol
FL/FR
(+)-
camphene
FL/FR
cistus twig/leaf oil
FL/FR
8,9-
dehydrotheaspirone
FL
alpha-
ethoxy-ortho-cresol
FL/FR
2-
methyl butyl salicylate
FL/FR
polylimonene
FL/FR
prenyl mercaptan
FL
2-
propyl phenol
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
woody ketone
FL/FR
balsamic
balsamic
iso
bornyl propionate
FL/FR
camphoreous
dextro,laevo-iso
borneol
FL/FR
camphene
FL/FR
pinocarveol
FL/FR
chemical
2,3-
dimethyl benzofuran
FL/FR
citrus
petitgrain bigarade oil
FL/FR
coffee
furfuryl mercaptan
FL/FR
dairy
2-
octanone
FL/FR
floral
3,7-
dimethyl-6-octenoic acid
FL/FR
fruity
3-
benzyl-4-heptanone
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
grassy
tobacco leaf absolute
FL/FR
green
iso
amyl salicylate
FL/FR
coriander oleoresin
FL/FR
iso
cyclocitral (IFF)
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
angelica archangelica seed extract
FL/FR
dill seed oil
FL/FR
dill seed oil CO2 extract
FL/FR
immortelle flower oil
FL/FR
lavandin water absolute
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
curled
parsley leaf oil
FL/FR
prenyl salicylate
FL/FR
thyme oil wild or creeping
FL/FR
leathery
castoreum absolute
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
medicinal
dextro-
camphor
FL/FR
2,6-
dimethoxyphenol
FL/FR
minty
pennyroyal oil
FL/FR
musk
angelica root absolute
FL/FR
musty
thymyl methyl ether
FL/FR
2,5-
xylenol
FL/FR
onion
2-
methyl-1,3-dithiolane
FL
phenolic
4-
methyl-2,6-dimethoxyphenol
FL/FR
rummy
vanillyl ethyl ether
FL/FR
smoky
4-
ethyl phenol
FL/FR
prosopis juliflora wood extract
FL
pyroligneous acids
FL/FR
pyroligneous acids hickory
FL/FR
dextro-
xylose
FL
spicy
chipotle chili oleoresin
FL
cinnamon acrolein
FL/FR
cubeb oil
FL/FR
black
currant bud absolute
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
ginger root oil cochin
FL/FR
2-
octanol
FL/FR
black
pepper absolute
FL/FR
black
pepper oil
FL/FR
white
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
pepper tree berry oil
FL/FR
para-iso
propyl acetophenone
FL/FR
tea
tea leaf absolute
FL/FR
thujonic
common
tansy flower oil argentina
FL/FR
woody
iso
bornyl acetate
FL/FR
cadinene
FL/FR
4-
ethyl guaiacol
FL/FR
ortho-
guaiacol
FL/FR
guaiacyl acetate
FL/FR
(Z)-
jasmone
FL/FR
alpha-
pinene
FL/FR
spruce needle oil canada
FL/FR
 
Potential Uses:
FLherbal
FLsmoke
FRwoody
 
Occurrence (nature, food, other):note
 chicken - 0.003 mg/kg
Search PMC Picture
 cocoa - 0.5 mg/kg
Search Trop Picture
 coffee - up to 2.5 mg/kg
Search PMC Picture
 peanut roasted peanut
Search Trop Picture
 tamarind - 0.3 mg/kg
Search Trop Picture
 tamarind fruit oil
Search Trop Picture
 
Synonyms:
N-methyl pyrrole
1-methyl-1H-pyrrole
1-methylpyrrole
N-methylpyrrole
 pyrrole, 1-methyl-
1H-pyrrole, 1-methyl-
 pyrrole, N-methyl-
 
 
Notes:
Maillard product
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