2,5-diethyl-3-methyl pyrazine
 
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IUPAC name :2,5-diethyl-3-methylpyrazine
InChI :InChI=1/C9H14N2/c1-4-8-6-10-9(5-2)7(3)11-8/h6H,4-5H2,1-3H3
InChIKey :RJIREWQSLPRZFG-UHFFFAOYAF
SMILES :CCC1=CN=C(C(=N1)C)CC
cas number :32736-91-7
fema number :3915
coe number :11304
jecfa number :778
fl. number :14.096
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
formula :C9 H14 N2
 
 
fda reg :unspecified h. number :unspecified
 
organoleptics : 
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
toasted hazelnut meaty
properties : 
appearence :colorless to pale yellow clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.94400 - 0.95400 @ 25.00 °C.
pounds per gallon - calc. : 7.855 to 7.938
refractive index :1.49200 - 1.50200 @ 20.00 °C.
boiling point : 95.00 °C. @ 14.00 mm Hg
boiling point : 206.00 - 207.00 °C. @ 760.00 mm Hg
logp : 2.16
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 170.00  °F.  TCC  ( 76.67 °C. )
  
recommendation for 2,5-diethyl-3-methyl pyrazine usage levels up to :
  0.0500 % in the fragrance concentrate.
  
safety links : 
chemidplus :032736917
epa-srs :32736-91-7
  
other : 
 
references : 
jecfa number :778
fl. number :14.096
pubchem :177753
NIST Chemistry WebBook :431638304
  
synonyms :
2,5-diethyl-3-methyl pyrazine
2,5-diethyl-3-methyl-1,4-diazine
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl pyrazine
2-acetyl thiazole
2-acetyl-3-methyl pyrazine
2-acetyl-3,5-dimethyl pyrazine
2-acetyl-3,5(or 6)-dimethyl pyrazine
(E)-aconitic acid
2-isobutyl-3,(5 and 6)-dimethyl pyrazine
 butyrophenone
 coconut naphthalenone
2,5-dihydroxy-1,4-dithiane
4,5-dimethyl-2-ethyl thiazole
 hazelnut notes
 hazelnut oleoresin
 hazelnut pyrazine
3,4-hexane dione
2-methoxy-3-methyl pyrazine
2-methyl quinoxaline
5-methyl quinoxaline
2-methyl-3-pentenoic acid
2-methyl-3,(5 or 6)-ethoxypyrazine
 nonyl isovalerate
 popcorn pyrimidine
2,4,5-trimethyl thiazole
 whiskey lactone
(odor and/or flavor) used in :
 nut hazelnut
natural occurrence in :
coffee



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