3,6-cocoa pyrazine
2,5-dimethyl-3-ethylpyrazine

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  BOC Sciences

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  Product(s):
  13360-65-1 2-Ethyl-3,6-dimethylpyrazine

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  Moellhausen S.P.A.

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  Product(s):

  100846 2-ETHYL-3,5-DIMETHYL PYRAZINE

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  Penta International Corporation

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  Product(s):
  05-27400 2-ETHYL-3,5,6-DIMETHYLPYRAZINE
  05-27900 2-ETHYL-3,6-DIMETHYL PYRAZINE
  05-27905 3-ETHYL-2,5-DIMETHYL PYRAZINE

Name: 3-ethyl-2,5-dimethylpyrazine CAS Number: 13360-65-1 3D/inchi ECHA EINECS - REACH Pre-Reg: 236-417-1 FDA UNII: G2FB13VLOG Nikkaji Web: J121.829H CoE Number: 727 XlogP3: 1.50 (est) Molecular Weight: 136.19764000 Formula: C8 H12 N2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: Registername to be changed to 2,5-Dimethyl-3-ethylpyrazine. Category:flavor and fragrance 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: 775 2,5-dimethyl-3-ethylpyrazine DG SANTE Food Flavourings: 14.111 3-ethyl-2,5-dimethylpyrazine FEMA Number: 3149 2,5-dimethyl-3-ethylpyrazine FDA: No longer provide for the use of these seven synthetic flavoring substances   Physical Properties: Appearance: pale yellow to yellow clear liquid (est) Assay: 97.00 to 100.00 sum of isomers Food Chemicals Codex Listed: No Specific Gravity: 1.03400 to 1.04100 @ 25.00 °C. Pounds per Gallon - (est).: 8.604 to 8.662 Refractive Index: 1.49300 to 1.49700 @ 20.00 °C. Boiling Point: 180.50 °C. @ 760.00 mm Hg Boiling Point: 176.00 °C. @ 760.00 mm Hg Vapor Pressure: 1.212000 mmHg @ 25.00 °C. (est) Flash Point: 157.00 °F. TCC ( 69.44 °C. ) logP (o/w): 2.070 Soluble in:   alcohol   water, 1473 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: nutty potato cocoa roasted nutty Odor Description:at 0.01 % in propylene glycol. potato cocoa roasted nutty Flavor Type: nutty hazelnut nutty Taste Description: hazelnut Odor and/or flavor descriptions from others (if found).   Cosmetic Information: CosIng: cosmetic data Cosmetic Uses: perfuming agents   Suppliers: BOC Sciences For experimental / research use only. 2-Ethyl-3,6-dimethylpyrazine Moellhausen 2-ETHYL-3,5-DIMETHYL PYRAZINE Odor: hazel-nut, fatty note, coffee, cocoa, chips ,chocolate Parchem 3,6-cocoa pyrazine Penta International 2-ETHYL-3,5,6-DIMETHYLPYRAZINE Penta International 2-ETHYL-3,6-DIMETHYL PYRAZINE Penta International 3-ETHYL-2,5-DIMETHYL PYRAZINE   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: flavor and fragrance agents RIFM Fragrance Material Safety Assessment: Search IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice Recommendation for 3,6-cocoa pyrazine usage levels up to:   0.0100 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 2.10 (μg/capita/day) Threshold of Concern: 540 (μg/person/day) Structure Class: II 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: 4 Click here to view publication 4   average usual ppm average maximum ppm baked goods: - 5.00000 beverages(nonalcoholic): - 5.00000 beverages(alcoholic): - - breakfast cereal: - 2.00000 cheese: - - chewing gum: - - condiments / relishes: - 2.00000 confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - 2.00000 granulated sugar: - - gravies: - 2.00000 hard candy: - 5.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - 2.00000 milk products: - 1.00000 nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - - soups: - - sugar substitutes: - - sweet sauces: - -   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): Scientific Opinion on Flavouring Group Evaluation 17, Revision 3 (FGE.17Rev3): Pyrazine derivatives from chemical group 24 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA Substance Registry Services (TSCA):13360-65-1 EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :25916 National Institute of Allergy and Infectious Diseases:Data 3-ethyl-2,5-dimethylpyrazine Chemidplus:0013360651   References:   3-ethyl-2,5-dimethylpyrazine NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 13360-65-1 Pubchem (cid): 25916 Pubchem (sid): 134989111 Flavornet: 13360-65-1   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 CHEMBL: View HMDB (The Human Metabolome Database): HMDB32276 FooDB: FDB020022 Typical G.C. VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these sulfuryl octanoate FL/FR sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR sulfuryl propionate FL/FR balsamic balsamic propyl benzoate FL/FR caramellic ethyl 2-hydroxy-2-methyl butyrate FL/FR iso propenyl pyrazine FL/FR chocolate chocolate pyrazine A FL/FR 2,5- dimethyl pyrazine FL/FR cocoa 2- methyl butyraldehyde FL/FR theobroma cacao extract FL/FR earthy 2- ethyl-3-methoxypyrazine FL/FR fermented valeraldehyde FL/FR green 2- heptyl furan FL/FR (E,Z)-2,6- nonadien-1-yl acetate FL/FR naphthyl para- methyl anisole 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 roasted chestnut fragrance FR 2,3- dimethyl pyrazine FL/FR filbert heptenone FL/FR filbert heptenone B FL/FR (+)-(E,S)- filbertone FL/FR (-)-(E,R)- filbertone FL/FR european hazelnut absolute FL/FR roasted hazelnut infusions FL/FR european hazelnut oil CO2 extract FL/FR methoxymethyl pyrazine FL/FR 2- methyl pyrazine FL/FR 2- methyl-3-propyl pyrazine FL/FR nutty quinoxaline FL/FR sesame absolute FL/FR 2,4,5- trimethyl oxazole FL/FR 2,3,5- trimethyl pyrazine FL/FR sulfurous furfuryl thioacetate FL/FR S- furfuryl thioformate FL/FR For Flavor No flavor group found for these 2(4)-iso butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine FL butyramide FL chocolate pyrazine A FL/FR chocolate pyrazine B FL cyclohexyl methyl pyrazine FL 2,5- diethyl thiazole FL 2,5- diethyl-4-methyl thiazole FL 6,7- dihydro-2,3-dimethyl-5H-cyclopentapyrazine FL dimethyl dihydrocyclopentapyrazine FL 6,7- dimethyl dihydrocyclopentapyrazine FL 2,5- dimethyl pyrazine and 2,6-dimethyl pyrazine mixture FL 2,5- dimethyl thiazole FL ethyl 2-hydroxy-2-methyl butyrate FL/FR ethyl dimethyl pyrazine FL 2- ethyl-3-methoxypyrazine FL/FR methyl 2-(methyl thio) acetate FL 2- propyl pyridine FL pyrazines mixture FL para- salicylic acid FL sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR 5- acetyl-2,3-dihydro-1,4-thiazine FL sulfuryl octanoate FL/FR sulfuryl propionate FL/FR astringent astringent 2- methyl pyridine FL burnt 2- methyl quinoxaline FL iso propenyl pyrazine FL/FR 2,4,5- trimethyl oxazole FL/FR cocoa theobroma cacao extract FL/FR coffee difurfuryl ether FL 2-iso propyl pyrazine FL corn chip 2- acetyl-2-thiazoline FL earthy (±)-2- mercapto-5-methylheptan-4-one FL 2- methyl-3-propyl pyrazine FL/FR fatty 2- heptyl furan FL/FR fishy 4,5- dimethyl thiazole FL fruity 2- ethyl-2,5-dihydro-4-methyl thiazole FL propyl benzoate FL/FR fusel 2- methyl butyraldehyde FL/FR green dihydroxyacetophenone (mixed isomers) FL 2,5- dimethyl-4-ethyl oxazole FL 3- methyl pyridine FL 1-(5- methyl-2-furyl) propan-1-one FL 2- methyl-5-isopropyl pyrazine FL (E,Z)-2,6- nonadien-1-yl acetate FL/FR 2- vinyl pyrazine FL musty 2,5- dimethyl pyrazine FL/FR 2- ethoxythiazole FL 2,3,5- trimethyl pyrazine FL/FR naphthyl para- methyl anisole 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 almond hazelnut flavor FL arachis hypogaea fruit extract FL 2,5- diethyl pyrazine FL 2,5- diethyl-3-methyl pyrazine FL 2,3- dimethyl pyrazine FL/FR 1- ethyl-2-acetyl pyrrole FL 2- ethyl-6-methyl pyrazine FL filbert heptenone FL/FR filbert heptenone B FL/FR (-)-(E,R)- filbertone FL/FR (+)-(E,S)- filbertone FL/FR european hazelnut absolute FL/FR european hazelnut distillates FL hazelnut flavor FL roasted hazelnut infusions FL/FR european hazelnut oil CO2 extract FL/FR european hazelnut oleoresin FL hazelnut paste FL methoxymethyl pyrazine FL/FR 2- methyl pyrazine FL/FR nutty quinoxaline FL/FR sesame absolute FL/FR roasted 3,5- diisobutyl-1,2,4-trithiolane FL furfuryl thioacetate FL/FR spicy chocolate cinnamon hazelnut flavor FL cinnamon hazelnut cappuccino flavor FL cinnamon hazelnut cream flavor FL sulfurous S- furfuryl thioformate FL/FR vanilla vanilla hazelnut flavor FL winey valeraldehyde FL/FR   Potential Uses: FL almond FL burnt FL caramel FL chocolate cocoa FL coffee FL hazelnut FL meat FL peanut FL popcorn FL potato FL roasted FL rum FL walnut FL whiskey FR woody   Occurrence (nature, food, other):note   beef - up to 0.013 mg/kg Search PMC Picture   beer - up to 0.02 mg/kg Search PMC Picture   chicory root oil @ 0.009% Data GC Search Trop Picture   cocoa - up to 2.8 mg/kg Search Trop Picture   coffee - up to 2.2 mg/kg Search PMC Picture   garlic bulb Search Trop Picture   malt - up to 0.4 mg/kg Search PMC Picture   maze - up to 0.013 mg/kg Search PMC Picture   peanut - 0.1 mg/kg Search Picture   pork - up to 12.5 mg/kg Search PMC Picture   potato chip - 2.2 mg/kg Search PMC Picture   rum - 0.2 mg/kg Search PMC Picture   shrimp - up to 0.3 mg/kg Search PMC Picture   soybean - up to 0.3 mg/kg Search Trop Picture   tea - 0.2 mg/kg Search Trop Picture   tea leaf Search Trop Picture   Synonyms: 3,6- cocoa pyrazine 2,5- dimethyl-3-ethyl pyrazine 2,5- dimethyl-3-ethylpyrazine 3- ethyl-2,5-dimethyl pyrazine 3- ethyl-2,5-dimethyl-pyrazine 3- ethyl-2,5-dimethylpyrazine 2- ethyl-3,-dimethylpyrazine   pyrazine, 2,5-dimethyl-3-ethyl-   pyrazine, 3-ethyl-2,5-dimethyl-   Articles: US Patents:3,952,024 - Furfurylthioacetone US Patents:Certain 2,5-dimethyl-3-thiopyrazines

Notes: Isol. from coffee. Constit. of numerous cooked foods. Organoleptic agent with nutty roasted odour