2-acetyl-3,5-dimethyl pyrazine
 
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IUPAC name :1-(3,5-dimethylpyrazin-2-yl)ethanone
InChI :InChI=1/C8H10N2O/c1-5-4-9-8(7(3)11)6(2)10-5/h4H,1-3H3
InChIKey :UCGOSAWBWFUKDT-UHFFFAOYAV
SMILES :CC1=CN=C(C(=N1)C)C(=O)C
(EINECS) number :259-076-0
cas number :54300-08-2
fema number :3327
coe number :11294
jecfa number :786
fl. number :14.055
molar refractivity :42.11 ± 0.3 cm3
parachor :356.0 ± 4.0 cm3
index of refraction :1.513 ± 0.02
surface tension :41.8 ± 3.0 dyne/cm
density :1.073 ± 0.06 g/cm3
polarizability :16.69 ± 0.5 10-24cm3
xlogp : 0.60
molecular weight : 150.1778000
formula :C8 H10 N2 O
 
 
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 propylene glycol.  
roasted hazelnut
properties : 
appearence :yellow semi-solid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.03800 - 1.07300 @ 25.00 °C.
pounds per gallon - calc. : 8.637 to 8.928
refractive index :1.51700 @ 20.00 °C.
boiling point : 70.00 °C. @ 7.00 mm Hg
logp : 1.08
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 195.00  °F.  TCC  ( 90.56 °C. )
  
recommendation for 2-acetyl-3,5-dimethyl pyrazine usage levels up to :
  0.1000 % in the fragrance concentrate.
  
recommendation for 2-acetyl-3,5-dimethyl pyrazine usage levels up to :
  5.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :259-076-0
toxnet :54300-08-2
epa-srs :54300-08-2
pubchem :54300-08-2
  
other : 
 
references : 
synonyms :
2-acetyl-3,5-dimethyl pyrazine
1-(3,5-dimethyl pyrazin-2-yl) ethanone
1-(3,5-dimethyl pyrazinyl) ethan-1-one
1-(3,5-dimethyl pyrazinyl) ethanone
soluble in :
 alcohol
insoluble in :
 water
stability :
(odor and/or flavor) used in :
 butterscotch
 caramel
 nut hazelnut
 popcorn
 toffee
natural occurrence in :
 not found in nature



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