hazelnut pyrazine
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IUPAC name :2,3-diethyl-5-methylpyrazine
InChI :InChI=1/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3
InChIKey :PSINWXIDJYEXLO-UHFFFAOYAW
SMILES :CCC1=NC=C(N=C1CC)C
cas number :18138-04-0
(EINECS) number :242-024-6
fema number :3336
coe number :11303
jecfa number :777
fl. number :14.056
molar refractivity :46.35 ± 0.3 cm3
parachor :386.4 ± 4.0 cm3
index of refraction :1.499 ± 0.02
surface tension :35.9 ± 3.0 dyne/cm
density :0.952 ± 0.06 g/cm3
polarizability :18.37 ± 0.5 10-24cm3
XlogP : 1.50
molecular weight : 150.2208600 (IUPAC)
formula :C9 H14 N2
BioActivity Analysis :14719305
NMR Predictor :Predict
 
 
export tariff code :2933.90
fda reg :unspecified
Suppliers :
Advanced Biotech :2,3-DIETHYL 5 METHYL PYRAZINE
Endeavour :2,3-Diethyl-5-methylpyrazine
99%
Frutarom :2,3-DIETHYL-5-METHYLPYRAZINE
≥98.00%, NI, Kosher
Hofmen :2,3-Diethyl-5-methylpyrazine
Penta :2,3-diethyl-5-methyl pyrazine
SAFC Global® :2,3-Diethyl-5-methylpyrazine
≥97%, Kosher
Tokyo Chemical Industry :2,3-Diethyl-5-methylpyrazine
>97.0%(GC)
Treatt :2,3-Diethyl-5-methylpyrazine
organoleptics :
odor type :musty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		musty nutty meaty vegetable roasted hazelnut
odor description:
Musty, nut skin, earthy, toasted, potato bin, green and meaty
Mosciano, Gerard P&F 21, No. 5, 49, (1996)
taste description:
at 2.50 ppm.  		Musty, toasted, nutty, potato, cocoa, earthy and dirty
Mosciano, Gerard P&F 21, No. 5, 49, (1996)
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94500 to 0.95500 @ 20.00 °C.
pounds per gallon - calc. : 7.873 to 7.956
specific gravity :0.93800 to 0.95700 @ 25.00 °C.
pounds per gallon - calc. : 7.805 to 7.963
refractive index :1.49800 to 1.50500 @ 20.00 °C.
boiling point : 191.00 to 193.00 °C. @ 760.00 mm Hg
vapor pressure :0.05500 mm/Hg @ 25.00 °C.
vapor density :5.2 ( Air = 1 )
flash point : 176.00  °F.  TCC  ( 80.00 °C. )
logP (o/w) : 2.16
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 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.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.11 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
 
recommendation for hazelnut pyrazine fragrance usage levels up to :
  0.0800 % in the fragrance concentrate.
recommendation for hazelnut pyrazine flavor usage levels up to :
  2.5000 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
 
 
 
 
2,3-diethyl-5-methylpyrazine
(EINECS) number :242-024-6
chemidplus :018138040
EPA Substance Registry Services :18138-04-0
references :
 
2,3-diethyl-5-methylpyrazine
fl. number :14.056
jecfa number :777
NIST Chemistry WebBook :1058244187
pubchem :171313
Flavornet :18138-04-0
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2,3-diethyl-5-methyl pyrazine
2,3-diethyl-5-methylpyrazine
 methyl terrazome
soluble in :
 alcohol
 water, 1640 mg/L @ 25C
potential blenders :    note
2-acetyl pyrazineFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
 butyl laurateFL/FR
2-isobutyl-3,(5 and 6)-dimethyl pyrazineFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyrophenoneFL/FR
 cedrenyl acetateFR
 chocolate pyrazine AFL/FR
 cocoa hexenalFL/FR
3,6-cocoa pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
4,5-dimethyl-2-ethyl thiazoleFL
2-ethyl pyrazineFL/FR
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-6-methyl pyrazineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuryl thioacetateFL
 green pea pyrazineFL
 hazelnut oleoresinFL
2-heptyl furanFL
3-mercapto-2-pentanoneFL
 methionalFL
2-methoxy-3-methyl pyrazineFL/FR
2-methoxy-3-propyl pyrazineFL
2-methoxy-4-vinyl phenolFL/FR
 methyl 2-(methyl thio) acetateFL
2-methyl pyrazineFL/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
2-methyl-3-pentenoic acidFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
 nonyl isovalerateFL/FR
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 peanut dithiazineFL
 potato butanoneFL
 potato butyraldehydeFL
2-propionyl-2-thiazolineFL
 propylene glycol acetone ketalFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5-trimethyl pyrazineFL
2,4,5-trimethyl thiazoleFL/FR
potential uses :
 cheese
 chocolate cocoa
 coffee
 nut
 nut filbert
 nut hazelnut
 nut peanut
 popcorn
 pork
 potato
 tomato
 vegetable
natural occurrence in :    note
 beef  
 cheese parmesan cheese  
 cheese provolon cheese  
 cocoa S
 coffee  
 filbert  
 hazelnut roasted hazelnut  
 lamb  
 peanut roasted peanut  
 pork  
 potato chip  
 potato french fries  
 sesame seed S

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