3,5(6)-cocoa pyrazine
 
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InChI :InChI=1/2C8H12N2/c1-4-8-7(3)10-6(2)5-9-8;1-4-8-7(3)9-5-6(2)10-8/h2*5H,4H2,1-3H3
InChIKey :BOFLOMVCGPWPQC-UHFFFAOYAT
SMILES :n1cc(nc(c1C)CC)C.n1cc(nc(c1CC)C)C
cas number :55031-15-7
fema number :3149
coe number :727
jecfa number :789
fl. number :14.100
molecular weight : 136.1942800
formula :C8 H12 N2
 
 
fda reg :unspecified h. number :2933.90
organoleptics : 
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
burnt almond sugar syrup woody coffee
taste description³ :at 5.00 ppm.  
Peanut, nut skin, brown, roasted, hazelnut, with coffee and chocolate nuances
properties : 
appearence :colorless to pale yellow clear liquid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.95000 - 0.98000 @ 25.00 °C.
pounds per gallon - calc. : 7.905 to 8.155
refractive index :1.50000 - 1.50300 @ 20.00 °C.
melting point : 64.00 - 66.00 °C. @ 8.00 mm Hg
boiling point : 180.00 - 182.00 °C. @ 760.00 mm Hg
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 157.00  °F.  TCC  ( 69.44 °C. )
  
recommendation for 3,5(6)-cocoa pyrazine usage levels up to :
  0.5000 % in the fragrance concentrate.
  
recommendation for 3,5(6)-cocoa pyrazine usage levels up to :
  5.0000 ppm in the flavor.
  
safety links : 
chemidplus :55031-15-7
epa-srs :55031-15-7
  
other : 
 
references : 
pubchem :40723204
  
reference : Mosciano, Gerard P&F 17, No. 3, 57, (1992)³
synonyms :
3,5(6)-dimethyl-2-ethyl pyrazine mixture
2-ethyl-3,5(6)-dimethyl pyrazine mixture
3,5(6)-cocoa pyrazine
soluble in :
 water
stability :
 stable in most media
(odor and/or flavor) used in :
 almond
 burnt
 caramel
 chocolate cocoa
 coffee
 meat
 nut hazelnut
 nut peanut
 nut walnut
 popcorn
 potato
 roasted
 rum
 whiskey
 woody
natural occurrence in :
asparagus
cocoa
coffee
filbert
meat
peanut
popcorn
potato baked potato
rum
shrimp
soy products
whiskey



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