2,5-dimethyl pyrrole
1H-pyrrole, 2,5-dimethyl-

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  D0260 2,5-Dimethylpyrrole >98.0%(GC)
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Name: 2,5-dimethyl-1H-pyrrole CAS Number: 625-84-3 3D/inchi ECHA EINECS - REACH Pre-Reg: 210-913-8 FDA UNII: MZ3OYF5521 Nikkaji Web: J95.507H MDL: MFCD00005223 CoE Number: 11383 XlogP3: 1.50 (est) Molecular Weight: 95.14473000 Formula: C6 H9 N BioActivity Summary: listing NMR Predictor: Predict (works with chrome, Edge 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 FDA Mainterm (SATF): 625-84-3 ; 2,5-DIMETHYLPYRROLE   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 95.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.92900 to 0.93500 @ 25.00 °C. Pounds per Gallon - (est).: 7.730 to 7.780 Refractive Index: 1.50000 to 1.50600 @ 20.00 °C. Melting Point: 7.00 to 9.00 °C. @ 760.00 mm Hg Boiling Point: 168.00 to 171.00 °C. @ 740.00 mm Hg Vapor Pressure: 2.502000 mmHg @ 25.00 °C. (est) Flash Point: 130.00 °F. TCC ( 54.44 °C. ) logP (o/w): 1.470 Soluble in:   alcohol   water, 6704 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 2,5-Dimethylpyrrole BOC Sciences For experimental / research use only. 2,5-Dimethylpyrrole Carbosynth For experimental / research use only. 2,5-Dimethylpyrrole Matrix Scientific For experimental / research use only. 2,5-Dimethylpyrrole sds Santa Cruz Biotechnology For experimental / research use only. 2,5-Dimethylpyrrole Sigma-Aldrich: Aldrich For experimental / research use only. 2,5-Dimethylpyrrole 98% sds TCI AMERICA For experimental / research use only. 2,5-Dimethylpyrrole >98.0%(GC) sds   Safety Information: Preferred SDS: View European information : Most important hazard(s): T - Toxic. R 10 - Flammable. R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. 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 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.   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: oral-rat LD50 [sex: M,F] 59 mg/kg (Burdock & Ford, 1990e) oral-rat LD50 59 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: DYSPNEA Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 6, 1990. Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for 2,5-dimethyl pyrrole usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (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/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): 0.20000 1.00000 Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): - - 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): 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 AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):625-84-3 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :12265 National Institute of Allergy and Infectious Diseases:Data WISER:UN 1992 WGK Germany:3 2,5-dimethyl-1H-pyrrole Chemidplus:0000625843 RTECS:UX9465930 for cas# 625-84-3   References:   2,5-dimethyl-1H-pyrrole NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 625-84-3 Pubchem (cid): 12265 Pubchem (sid): 134978074   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 HMDB (The Human Metabolome Database): HMDB32973 FooDB: FDB010960 Export Tariff Code: 2933.99.9700 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   egg cooked egg Search PMC Picture   tomato Search Trop Picture   Synonyms: 2,5- dimethyl-1H-pyrrole 2,5- dimethylazole 2,5- dimethylpyrrole   pyrrole, 2,5-dimethyl- 1H- pyrrole, 2,5-dimethyl-   Articles:   None found yet. Try the PubMed Search.

Notes: Listed in the EAFUS Food Additive Database (Jan 2001) but with no reported use