1-methyl pyrrole
1H-pyrrole, 1-methyl-
 
Notes:
Maillard product
  • Penta International
    • 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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      US Fax: (973) 740-1839
      Product(s):
      13-67700 N-METHYL PYRROLE, Kosher
       
  • Pyrazine Specialties
    • Pyrazine Specialties, Inc.
      Naturally Better
      First in pyazines for the food, perfume, and pharmaceutical industry.
      Pyrazine Specialties, Incorporated began almost 40 years ago in a modest little building near the Georgia Tech campus. Today, Pyrazine Specialties is looking to expand its facilities as well as significantly increase our product line.
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      Resources
      Product(s):
      R501 1-Methyl Pyrrole
       
  • Sigma-Aldrich
    • Sigma-Aldrich
      Complete Supply Chain
      The perfect blend of products and services that bring your creativity to life.
      Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards.
      Email: Information
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      Certified Food Grade Products
      Product(s):
      W509973 1-Methylpyrrole, ≥99%
      SDS
       
  • TCI AMERICA
    • TCI AMERICA
      Moving Your Chemistry Forward
      We continuously strive to advance our technology.
      Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 60 years of synthesis experience and multi-purpose plants enable TCI to offer more than 27,000 products as well as custom synthesis. TCI established overseas facilities in North America, Europe, China and India to serve customers worldwide.
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      Product(s):
      M0414 1-Methylpyrrole >99.0%(GC)
       
Synonyms   Articles   Notes   Search
1-methylpyrrole (Click)
CAS Number: 96-54-8Picture of molecule
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
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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)
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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
  
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Cosmetic Information:
None found
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Suppliers:
Penta International
N-METHYL PYRROLE, Kosher
Pyrazine Specialties
1-Methyl Pyrrole
Santa Cruz Biotechnology
For experimental / research use only.
N-Methylpyrrole ≥99%
Sigma-Aldrich
1-Methylpyrrole, ≥99%
Odor: herbaceous; smoky; woody
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
1-Methylpyrrole >99.0%(GC)
Tengzhou Xiang Yuan Aroma Chemicals
N-Methyl Pyrrole
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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
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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
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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
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References:
 1-methylpyrrole
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 96-54-8
Pubchem (cid): 7304
Pubchem (sid): 134972539
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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
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Potential Blenders and core components note
 
For Odor
amber
amber
 angelica archangelica root oil CO2 extractFL/FR
balsamic
dextro,laevo-isoborneolFL/FR
isobornyl acetateFL/FR
isobornyl propionateFL/FR
camphoreous
dextro-camphorFL/FR
coffee
 furfuryl mercaptanFL/FR
earthy
2-octanoneFL/FR
floral
isoamyl salicylateFL/FR
(Z)-jasmoneFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 petitgrain bigarade oilFL/FR
 prenyl salicylateFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
green
isocyclocitral (IFF)FL/FR
3,7-dimethyl-6-octenoic acidFL/FR
para-methyl hydratropaldehydeFL/FR
hay
 tobacco leaf absoluteFL/FR
herbal
 angelica archangelica seed extractFL/FR
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
alpha-cadinolFL/FR
 coriander oleoresinFL/FR
 dill seed oilFL/FR
 dill seed oil CO2 extractFL/FR
 immortelle flower oilFL/FR
 lavandin water absoluteFL/FR
2-methyl butyl salicylateFL/FR
curled parsley leaf oilFL/FR
alpha-pineneFL/FR
 pinocarveolFL/FR
 tea leaf absoluteFL/FR
 thyme oil wild or creepingFL/FR
 thymyl methyl etherFL/FR
leathery
 castoreum absoluteFL/FR
minty
 pennyroyal oilFL/FR
musk
 angelica root absoluteFL/FR
orris
para-isopropyl acetophenoneFL/FR
phenolic
2,3-dimethyl benzofuranFL/FR
ortho-guaiacolFL/FR
4-methyl-2,6-dimethoxyphenolFL/FR
2-propyl phenolFL/FR
 vanillyl ethyl etherFL/FR
2,5-xylenolFL/FR
 birch tar oilFL/FR
2,6-dimethoxyphenolFL/FR
alpha-ethoxy-ortho-cresolFL/FR
4-ethyl phenolFL/FR
 pyroligneous acidsFL/FR
 pyroligneous acids hickoryFL/FR
 cinnamon acroleinFL/FR
 cubeb oilFL/FR
black currant bud absoluteFL/FR
4-ethyl guaiacolFL/FR
 ginger oleoresin africaFL/FR
 ginger root absoluteFL/FR
 ginger root oil cochinFL/FR
 myrceneFL/FR
2-octanolFL/FR
black pepper absoluteFL/FR
black pepper oilFL/FR
white pepper oilFL/FR
black pepper oleoresinFL/FR
 pepper tree berry oilFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
thujonic
common tansy flower oil argentinaFL/FR
 woody ketoneFL/FR
woody
 angelica archangelica root extractFL/FR
 angelica archangelica root tinctureFL/FR
 angelica archangelica root waterFL/FR
 cadineneFL/FR
(+)-campheneFL/FR
 campheneFL/FR
 cistus twig/leaf oilFL/FR
 guaiacyl acetateFL/FR
 polylimoneneFL/FR
 spruce needle oil canadaFL/FR
 
For Flavor
 
No flavor group found for these
 angelica archangelica root extractFL/FR
 angelica archangelica root oil CO2 extractFL/FR
 angelica archangelica root tinctureFL/FR
 angelica archangelica root waterFL/FR
 benzyl disulfideFL
 birch tar oilFL/FR
dextro,laevo-isoborneolFL/FR
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
 cadineneFL/FR
alpha-cadinolFL/FR
(+)-campheneFL/FR
 cistus twig/leaf oilFL/FR
isocyclocitral (IFF)FL/FR
8,9-dehydrotheaspironeFL
alpha-ethoxy-ortho-cresolFL/FR
2-methyl butyl salicylateFL/FR
2-octanolFL/FR
 polylimoneneFL/FR
 prenyl mercaptanFL
2-propyl phenolFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 tea leaf absoluteFL/FR
 vanillyl ethyl etherFL/FR
 woody ketoneFL/FR
balsamic
isobornyl propionateFL/FR
bitter
 tobacco leaf absoluteFL/FR
camphoreous
 campheneFL/FR
 pinocarveolFL/FR
chemical
2,3-dimethyl benzofuranFL/FR
citrus
 petitgrain bigarade oilFL/FR
coffee
 furfuryl mercaptanFL/FR
dairy
2-octanoneFL/FR
floral
3,7-dimethyl-6-octenoic acidFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
 ethyl 3-hydroxyhexanoateFL/FR
green
isoamyl salicylateFL/FR
 coriander oleoresinFL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 angelica archangelica seed extractFL/FR
 dill seed oilFL/FR
 dill seed oil CO2 extractFL/FR
 immortelle flower oilFL/FR
 lavandin water absoluteFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
curled parsley leaf oilFL/FR
 prenyl salicylateFL/FR
 thyme oil wild or creepingFL/FR
leathery
 castoreum absoluteFL/FR
meaty
4-allyl-2,6-dimethoxyphenolFL
medicinal
dextro-camphorFL/FR
2,6-dimethoxyphenolFL/FR
minty
 pennyroyal oilFL/FR
musk
 angelica root absoluteFL/FR
musty
 thymyl methyl etherFL/FR
2,5-xylenolFL/FR
onion
2-methyl-1,3-dithiolaneFL
phenolic
4-methyl-2,6-dimethoxyphenolFL/FR
smoky
4-ethyl phenolFL/FR
 prosopis juliflora wood extractFL
 pyroligneous acidsFL/FR
 pyroligneous acids hickoryFL/FR
dextro-xyloseFL
spicy
 chipotle chili oleoresinFL
 cinnamon acroleinFL/FR
 cubeb oilFL/FR
black currant bud absoluteFL/FR
 ginger oleoresin africaFL/FR
 ginger root absoluteFL/FR
 ginger root oil cochinFL/FR
black pepper absoluteFL/FR
white pepper oilFL/FR
black pepper oilFL/FR
black pepper oleoresinFL/FR
 pepper tree berry oilFL/FR
para-isopropyl acetophenoneFL/FR
thujonic
common tansy flower oil argentinaFL/FR
woody
isobornyl acetateFL/FR
4-ethyl guaiacolFL/FR
ortho-guaiacolFL/FR
 guaiacyl acetateFL/FR
(Z)-jasmoneFL/FR
 myrceneFL/FR
alpha-pineneFL/FR
 spruce needle oil canadaFL/FR
 
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Potential Uses:
 herbalFL
 smokeFL
 woody 
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Occurrence (nature, food, other): note
 chicken - 0.003 mg/kg
Search  Picture
 cocoa - 0.5 mg/kg
Search Trop  Picture
 coffee - up to 2.5 mg/kg
Search  Picture
 peanut roasted peanut
Search  Picture
 tamarind - 0.3 mg/kg
Search Trop  Picture
 tamarind fruit oil
Search Trop  Picture
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Synonyms:
N-methyl pyrrole
1-methyl-1H-pyrrole
1-methylpyrrole
N-methylpyrrole
 pyrrole, 1-methyl-
1H-pyrrole, 1-methyl-
 pyrrole, N-methyl-
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Synonyms   Articles   Notes   Search   Top
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