2,6-dimethyl pyrazine
 
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IUPAC name :2,6-dimethylpyrazine
InChI :InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3
InChIKey :HJFZAYHYIWGLNL-UHFFFAOYAT
SMILES :CC1=CN=CC(=N1)C
(EINECS) number :203-589-4
cas number :108-50-9
fema number :3273
coe number :2211
jecfa number :767
fl. number :14.021
molar refractivity :32.08 ± 0.3 cm3
parachor :270.8 ± 4.0 cm3
index of refraction :1.503 ± 0.02
surface tension :38.9 ± 3.0 dyne/cm
density :0.997 ± 0.06 g/cm3
polarizability :12.71 ± 0.5 10-24cm3
xlogp : 0.60
molecular weight : 108.1411200
formula :C6 H8 N2
 
 
fda reg :unspecified h. number :2933.90
organoleptics : 
odor type :chocolate
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
cocoa roasted nuts roast beef coffee
properties : 
appearence :white to yellow crystals
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 35.00 - 40.00 °C. @ 760.00 mm Hg
boiling point : 154.00 - 155.00 °C. @ 760.00 mm Hg
logp : 0.54
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    880.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 127.00  °F.  TCC  ( 52.78 °C. )
  
recommendation for 2,6-dimethyl pyrazine usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for 2,6-dimethyl pyrazine usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-589-4
rtecs :UQ2975000 for 108-50-9
chemidplus :000108509
epa-srs :108-50-9
  
other : 
 
references : 
pubchem :151049
NIST Chemistry WebBook :1250591221
  
synonyms :
2,6-dimethyl paradiazine
2,6-dimethyl piazine
2,6-dimethyl pyrazine
2,6-dimethyl-1,4-diazine
2,6-dimethylpyrazine
soluble in :
 alcohol
 essential oils
 water, 38200 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 beef roasted beef
 bread
 chocolate cocoa
 coffee
 fried
 maple
 nut
 tobacco tabac tabaco
 vegetable
 yeast
natural occurrence in :
beef roasted beef
beer
bread white bread
coffee roasted coffee
data pagelavender oil spike spain @ 0.310%
potato chip
tea
whiskey



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