EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

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

Sponsors

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
FLAVIS Number:14.111 (Old)
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 mm/Hg @ 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
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).
 
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, Kosher
Penta International
2-ETHYL-3,6-DIMETHYL PYRAZINE, Kosher
 
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
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
 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: --
 
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
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 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):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
2-
methyl butyraldehyde
FL/FR
cocoa
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-
acetyl-2-pyrroline
FL
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,S)-
filbertone
FL/FR
(-)-(E,R)-
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:
FLalmond
 burnt
FLcaramel
 chocolate cocoa
FLcoffee
FLhazelnut
FLmeat
FLpeanut
FLpopcorn
FLpotato
FLroasted
FLrum
FLwalnut
FLwhiskey
FRwoody
 
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-
 
 
Notes:
Isol. from coffee. Constit. of numerous cooked foods. Organoleptic agent with nutty roasted odour
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy