3,6-cocoa pyrazine
2,5-dimethyl-3-ethylpyrazine
 
Notes:
Isol. from coffee. Constit. of numerous cooked foods. Organoleptic agent with nutty roasted odour
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      13360-65-1 2-Ethyl-3,6-dimethylpyrazine
       
  • Moellhausen
  • Penta International
Synonyms   Articles   Notes   Search
CAS Number: 13360-65-1Picture of molecule3D/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 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
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
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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
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Organoleptic Properties:
 
Odor Type: nutty
 
Odor Strength: high ,
recommend smelling in a 0.01 % solution or less
 
 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).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
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
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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
Synonyms   Articles   Notes   Search   Top
Safety in Use Information:
Category: flavor and fragrance agents
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 ppmaverage 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: --
Synonyms   Articles   Notes   Search   Top
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of pyrazine derivatives used as flavor ingredients. View pdf
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
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
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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
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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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
2-acetonyl pyrazine 
2,6-diethyl pyrazine 
2-ethyl-3-vinyl pyrazine 
4-hydroxymethyl-pyridine 
2-(methoxymethyl)-6-methyl pyridine 
7-methyl benzofuran 
2-methyl-3-ethyl quinoxaline 
2-methyl-3-pentyl pyrazine 
2-methyl-3-vinyl pyrazine 
2-methyl-6-propyl pyrazine 
2-methyl-6-vinyl pyrazine 
 sulfuryl octanoateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl propionateFL/FR
balsamic
 propyl benzoateFL/FR
caramellic
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
isopropenyl pyrazineFL/FR
chocolate
 chocolate pyrazine AFL/FR
2,5-dimethyl pyrazineFL/FR
2-methyl butyraldehydeFL/FR
cocoa
 theobroma cacao extractFL/FR
earthy
2-ethyl-3-methoxypyrazineFL/FR
fermented
 valeraldehydeFL/FR
2-heptyl furanFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
naphthyl
para-methyl anisoleFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
5-acetyl-4-methyl thiazole 
roasted chestnut fragranceFR
2,3-dimethyl pyrazineFL/FR
2,4-dimethyl-5-ethyl thiazole 
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
(-)-(E,R)-filbertoneFL/FR
(+)-(E,S)-filbertoneFL/FR
european hazelnut absoluteFL/FR
roasted hazelnut infusionsFL/FR
european hazelnut oil CO2 extractFL/FR
 methoxymethyl pyrazineFL/FR
2-methyl pyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
 nutty quinoxalineFL/FR
2-propyl-3,6-dimethyl pyrazine 
 sesame absoluteFL/FR
2,4,5-trimethyl oxazoleFL/FR
2,3,5-trimethyl pyrazineFL/FR
roasted
2-acetyl-2-pyrroline 
sulfurous
 furfuryl thioacetateFL/FR
S-furfuryl thioformateFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-2-pyrroline 
5-acetyl-4-methyl thiazole 
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyramideFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
2,5-diethyl-4-methyl thiazoleFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
6,7-dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl pyrazine and 2,6-dimethyl pyrazine mixtureFL
2,5-dimethyl thiazoleFL
2,4-dimethyl-5-ethyl thiazole 
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
 ethyl dimethyl pyrazineFL
2-ethyl-3-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
2-propyl pyridineFL
 pyrazines mixtureFL
para-salicylic acidFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
5-acetyl-2,3-dihydro-1,4-thiazineFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
astringent
2-methyl pyridineFL
burnt
2-methyl quinoxalineFL
2-methyl-6-propyl pyrazine 
isopropenyl pyrazineFL/FR
2,4,5-trimethyl oxazoleFL/FR
cocoa
 theobroma cacao extractFL/FR
coffee
 difurfuryl etherFL
2-isopropyl pyrazineFL
corn chip
2-acetyl-2-thiazolineFL
earthy
2-ethyl-3-vinyl pyrazine 
(±)-2-mercapto-5-methylheptan-4-oneFL
7-methyl benzofuran 
2-methyl-3-propyl pyrazineFL/FR
fatty
2-heptyl furanFL/FR
fishy
4,5-dimethyl thiazoleFL
fruity
2-ethyl-2,5-dihydro-4-methyl thiazoleFL
 propyl benzoateFL/FR
fusel
2-methyl butyraldehydeFL/FR
green
 dihydroxyacetophenone (mixed isomers)FL
2,5-dimethyl-4-ethyl oxazoleFL
3-methyl pyridineFL
1-(5-methyl-2-furyl) propan-1-oneFL
2-methyl-5-isopropyl pyrazineFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
2-vinyl pyrazineFL
hazelnut
4-hydroxymethyl-pyridine 
musty
2,5-dimethyl pyrazineFL/FR
2-ethoxythiazoleFL
2,3,5-trimethyl pyrazineFL/FR
naphthyl
para-methyl anisoleFL/FR
nutty
2-acetonyl pyrazine 
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 almond hazelnut flavorFL
 arachis hypogaea fruit extractFL
2,5-diethyl pyrazineFL
2,6-diethyl pyrazine 
2,5-diethyl-3-methyl pyrazineFL
2,3-dimethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
2-ethyl-6-methyl pyrazineFL
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
(+)-(E,S)-filbertoneFL/FR
(-)-(E,R)-filbertoneFL/FR
european hazelnut absoluteFL/FR
european hazelnut distillatesFL
 hazelnut flavorFL
roasted hazelnut infusionsFL/FR
european hazelnut oil CO2 extractFL/FR
european hazelnut oleoresinFL
 hazelnut pasteFL
 methoxymethyl pyrazineFL/FR
2-methyl pyrazineFL/FR
2-methyl-3-ethyl quinoxaline 
2-methyl-3-pentyl pyrazine 
2-methyl-3-vinyl pyrazine 
2-methyl-6-vinyl pyrazine 
 nutty quinoxalineFL/FR
2-propyl-3,6-dimethyl pyrazine 
 sesame absoluteFL/FR
roasted
3,5-diisobutyl-1,2,4-trithiolaneFL
 furfuryl thioacetateFL/FR
2-(methoxymethyl)-6-methyl pyridine 
spicy
 chocolate cinnamon hazelnut flavorFL
 cinnamon hazelnut cappuccino flavorFL
 cinnamon hazelnut cream flavorFL
sulfurous
S-furfuryl thioformateFL/FR
vanilla
 vanilla hazelnut flavorFL
winey
 valeraldehydeFL/FR
 
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Potential Uses:
 almondFL
 burntFL
 caramelFL
 chocolate cocoaFL
 coffeeFL
 hazelnutFL
 meatFL
 peanutFL
 popcornFL
 potatoFL
 roastedFL
 rumFL
 walnutFL
 whiskeyFL
 woodyFR
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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
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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-
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