2-acetyl-3-ethyl pyrazine
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IUPAC name :1-(3-ethylpyrazin-2-yl)ethanone
InChI :InChI=1/C8H10N2O/c1-3-7-8(6(2)11)10-5-4-9-7/h4-5H,3H2,1-2H3
InChIKey :PPJSYGVFDJEMRP-UHFFFAOYAQ
SMILES :CCC1=NC=CN=C1C(=O)C
cas number :32974-92-8
(EINECS) number :251-316-2
fema number :3250
coe number :11293
jecfa number :785
fl. number :14.049
molar refractivity :42.01 ± 0.3 cm3
parachor :357.3 ± 4.0 cm3
index of refraction :1.511 ± 0.02
surface tension :42.1 ± 3.0 dyne/cm
density :1.070 ± 0.06 g/cm3
polarizability :16.65 ± 0.5 10-24cm3
XlogP : 0.50
XlogP3-AA : 0.60
molecular weight : 150.1778000 (IUPAC)
formula :C8 H10 N2 O
NMR Predictor :Predict
 
 
export tariff code :2933.90
fda reg :unspecified
Suppliers :
Endeavour :2-Acetyl-3-ethylpyrazine
99%
Fontarome :2-ACETYL-3-ETHYLPYRAZINE
Odor:  Nutty
Frutarom :2-ACETYL-3-ETHYLPYRAZINE
≥99.00%, NI, Kosher
Odor:  Earthy, Nutty, Potato, Roast
Suggested Uses: Chocolate, Cocoa, Coffee, Meat, Nut, Potato
Hofmen :2-Acetyl-3-ethylpyrazine
Penta :2-acetyl-3-ethyl pyrazine
SAFC Global® :2-Acetyl-3-ethylpyrazine
≥98%, Kosher, FG
Odor:  oily; meaty; nutty; vegetable
Tokyo Chemical Industry :2-Acetyl-3-ethylpyrazine
>98.0%(GC)
Treatt :2-Acetyl-3-ethylpyrazine
organoleptics :
odor type :nutty
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in propylene glycol.  		earthy potato chip nutty popcorn corn
odor description:
at 2.00 %.  		Earthy, nutty, musty, potato and corn-like
Mosciano, Gerard P&F 23, No. 3, 55, (1998)
taste description:
at 2.00 ppm.  		Musty, nutty, cocoa and peanut, with a vegetative, potato and bean nuance
Mosciano, Gerard P&F 23, No. 3, 55, (1998)
properties :
appearence :pale yellow to yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.07000 to 1.08000 @ 20.00 °C.
pounds per gallon - calc. : 8.914 to 8.997
specific gravity :1.06800 to 1.07900 @ 25.00 °C.
pounds per gallon - calc. : 8.887 to 8.978
refractive index :1.50900 to 1.51800 @ 20.00 °C.
boiling point : 220.00 to 221.00 °C. @ 760.00 mm Hg
boiling point : 54.00 to 56.00 °C. @ 1.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 1.15
safety :
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 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.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.73 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
 
recommendation for 2-acetyl-3-ethyl pyrazine fragrance usage levels up to :
 not for fragrance use.
recommendation for 2-acetyl-3-ethyl pyrazine flavor usage levels up to :
  10.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
1-(3-ethylpyrazin-2-yl)ethanone
(EINECS) number :251-316-2
chemidplus :032974928
EPA Substance Registry Services :32974-92-8
references :
 
1-(3-ethylpyrazin-2-yl)ethanone
fl. number :14.049
jecfa number :785
NIST Chemistry WebBook :993829528
pubchem :198317
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-acetyl-3-ethyl-1,4-diazine
2-acetyl-3-ethylpyrazine
1-(3-ethyl pyrazinyl) ethan-1-one
3-ethyl-2-pyrazinyl methyl ketone
1-(3-ethylpyrazin-2-yl)ethanone
Similar Products:    note
2-acetyl-6-ethyl pyrazine
soluble in :
 alcohol
 water
potential blenders :    note
2-acetyl pyrazineFL/FR
2-acetyl pyridineFL/FR
3-acetyl pyridineFL/FR
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2-acetyl-5-methyl pyrazineFL
2-acetyl-6-methyl pyrazineFL
 acorn acetateFR
alpha-amyl cinnamyl acetateFL/FR
 amyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
 amyl salicylateFL/FR
 autumn carboxylateFR
 butyl cinnamateFL/FR
 butyl phenyl acetateFL/FR
isobutyl phenyl acetateFL/FR
 butyraldehydeFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cocoa hexenalFL/FR
 cocoa oleoresinFL
 cocoa propanalFL
3,6-cocoa pyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
 dimethyl sulfideFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
 ethyl dimethyl pyrazineFL
 ethyl vanillin isobutyrateFL/FR
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-6-methyl pyrazineFL
 filbert pyrazineFL
 geranyl crotonateFR
 green pea pyrazineFL
 menthofuranFL/FR
3-mercapto-2-pentanoneFL
 methionalFL
2-methoxy-3-propyl pyrazineFL
 methyl 2-(methyl thio) acetateFL
 methyl ethoxypyrazineFL
2-methyl furanFL
2-methyl piperidineFL
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
4-(methyl thio) butanolFL
dextro,laevo-3-(methyl thio) butanoneFL
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 phenyl acetic acidFL/FR
 popcorn pyrimidineFL/FR
 potato butanoneFL
 potato butyraldehydeFL
 prenyl benzoateFL/FR
2-propionyl pyrroleFL
2-propionyl thiazoleFL
 propylene glycol acetone ketalFL
2,3,5,6-tetramethyl pyrazineFL
 tricyclodecenyl isobutyrateFR
2,4,5-trimethyl thiazoleFL/FR
 vanillinFL/FR
 vanillyl isobutyrateFL/FR
 yeast thiazolineFL
potential uses :
 chocolate cocoa
 coffee
 nut
 nut peanut
 popcorn
 pork
 potato chip
natural occurrence in :    note
 cocoa S
 pork cooked pork  
 pork liver  

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