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1-methyl-2-pyrrole carboxaldehyde
1-methyl-1H-pyrrole-2-carboxaldehyde

Supplier Sponsors

Name:1-methylpyrrole-2-carbaldehyde
CAS Number: 1192-58-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-755-0
FDA UNII: M0HYH3D7SX
Nikkaji Web:J40.761E
Beilstein Number:0107811
MDL:MFCD00003087
XlogP3-AA:0.50 (est)
Molecular Weight:109.12799000
Formula:C6 H7 N O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
No longer supported by Industry (DG SANCO, 2013).
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:2152 1-methyl-1H-pyrrole-2-carboxaldehyde
DG SANTE Food Flavourings:14.163 1-methylpyrrole-2-carbaldehyde
FEMA Number:4332 1-methyl-1H-pyrrole-2-carboxaldehyde
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):1192-58-1 ; 1-METHYL-1H-PYRROLE-2-CARBOXALDEHYDE
 
Physical Properties:
Appearance:orange to dark red clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.01200 to 1.01800 @ 25.00 °C.
Pounds per Gallon - (est).: 8.421 to 8.471
Refractive Index:1.55800 to 1.56400 @ 20.00 °C.
Boiling Point: 87.00 to 90.00 °C. @ 22.00 mm Hg
Boiling Point: 192.00 to 194.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.418000 mmHg @ 25.00 °C. (est)
Flash Point: 162.00 °F. TCC ( 72.22 °C. )
logP (o/w): 1.166 (est)
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:refrigerate in tightly sealed containers.
Soluble in:
 alcohol
 water, 1.156e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
1-Methyl-1H-pyrrole-2-carboxaldehyde
BOC Sciences
For experimental / research use only.
1-Methyl-2-pyrrolecarboxaldehyde
EMD Millipore
For experimental / research use only.
1-Methyl-2-pyrrolecarboxaldehyde
sds
Endeavour Specialty Chemicals
N-Methyl-2-pyrrolealdehyde F&F
Speciality Chemical Product Groups
Matrix Scientific
For experimental / research use only.
1-Methylpyrrole-2-carboxaldehyde, 95+%
sds
Penta International
1-METHYL-2-PYRROLECARBOXALDEHYDE
R C Treatt & Co Ltd
N-Methyl-2-formylpyrrole
Kosher
Robinson Brothers
N-Methyl-2-pyrrolealdehyde F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
1-Methyl-2-pyrrolecarboxaldehyde
Sigma-Aldrich: Aldrich
For experimental / research use only.
1-Methyl-2-pyrrolecarboxaldehyde 98%
sds
TCI AMERICA
For experimental / research use only.
1-Methyl-2-pyrrolecarboxaldehyde >97.0%(GC)
sds
WholeChem
1-Methyl-1H-pyrrole-2-carboxaldehyde
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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:
intravenous-mouse LD50 180 mg/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02362

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 1-methyl-2-pyrrole carboxaldehyde usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0024 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 400 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.100000.50000
beverages(nonalcoholic): 1.000005.00000
beverages(alcoholic): 1.000005.00000
breakfast cereal: --
cheese: 0.010000.05000
chewing gum: --
condiments / relishes: 0.010000.05000
confectionery froastings: 1.000005.00000
egg products: --
fats / oils: --
fish products: 0.010000.05000
frozen dairy: 0.010000.05000
fruit ices: 0.100000.50000
gelatins / puddings: 0.010000.05000
granulated sugar: --
gravies: 0.010000.05000
hard candy: --
imitation dairy: 0.010000.05000
instant coffee / tea: --
jams / jellies: --
meat products: 0.010000.05000
milk products: 0.010000.05000
nut products: --
other grains: --
poultry: 0.010000.05000
processed fruits: 0.010000.05000
processed vegetables: 0.010000.05000
reconstituted vegetables: --
seasonings / flavors: 0.010000.05000
snack foods: 0.010000.05000
soft candy: --
soups: 0.010000.05000
sugar substitutes: --
sweet sauces: 0.010000.05000
 
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
Chewing gum (05.3): --
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): 1.000005.00000
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):

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14504
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
1-methylpyrrole-2-carbaldehyde
Chemidplus:0001192581
RTECS:UX9350000 for cas# 1192-58-1
 
References:
 1-methylpyrrole-2-carbaldehyde
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1192-58-1
Pubchem (cid):14504
Pubchem (sid):134980983
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40582
FooDB:FDB020364
Export Tariff Code:2933.99.8290
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 bacon fried bacon
Search PMC Picture
 coffee
Search PMC Picture
 
Synonyms:
2-formyl-1-methyl pyrrole
2-formyl-1-methylpyrrole
1-methyl pyrrole-2-carbaldehyde
1-methyl pyrrole-2-carboxaldehyde
1-methyl-1H-pyrrole-2-carbaldehyde
1-methyl-1H-pyrrole-2-carboxaldehyde
1-methyl-2-formyl pyrrole
1-methyl-2-formylpyrrole
N-methyl-2-formylpyrrole
N-methyl-2-pyrrolealdehyde
1-methyl-2-pyrrolecarboxaldehyde
N-methyl-2-pyrrolecarboxaldehyde
1-methylpyrrole-2-carbaldehyde
1-methylpyrrole-2-carboxaldehyde
N-methylpyrrole-2-carboxaldehyde
 pyrrole-2-carboxaldehyde, 1-methyl-
1H-pyrrole-2-carboxaldehyde, 1-methyl-
 

Articles:

PubMed:Heterogeneous carbon gels: N-doped carbon xerogels from resorcinol and N-containing heterocyclic aldehydes.
PubMed:A combined experimental and computational thermodynamic study of the isomers of pyrrolecarboxaldehyde and 1-methyl- pyrrolecarboxaldehyde.
PubMed:Effect of the pyrrole polymerization mechanism on the antioxidative activity of nonenzymatic browning reactions.
PubMed:Antioxidative activity of heterocyclic compounds found in coffee volatiles produced by Maillard reaction.
 
Notes:
Maillard product
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