bean pyrazine
 
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IUPAC name :2-methoxy-3-propan-2-ylpyrazine
InChI :InChI=1/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
InChIKey :NTOPKICPEQUPPH-UHFFFAOYAE
SMILES :CC(C)C1=NC=CN=C1OC
(EINECS) number :247-256-1
cas number :25773-40-4
fema number :3358
coe number :11344
fl. number :14.057
molar refractivity :43.29 ± 0.3 cm3
parachor :367.2 ± 4.0 cm3
index of refraction :1.489 ± 0.02
surface tension :35.9 ± 3.0 dyne/cm
density :1.014 ± 0.06 g/cm3
polarizability :17.16 ± 0.5 10-24cm3
xlogp : 1.50
molecular weight : 152.1936800
formula :C8 H12 N2 O
 
 
fda reg :unspecified h. number :unspecified
organoleptics : 
odor type :green
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
pea earthy beany
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99600 @ 25.00 °C.
boiling point : 120.00 - 125.00 °C. @ 20.00 mm Hg
boiling point : 189.00 - 190.00 °C. @ 760.00 mm Hg
logp : 2.37
safety : 
most important hazard(s) : Xi - Irritant
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 152.00  °F.  TCC  ( 66.67 °C. )
  
recommendation for bean pyrazine usage levels up to :
  0.1000 % in the fragrance concentrate.
  
recommendation for bean pyrazine usage levels up to :
  0.1000 ppm in the flavor.
  
safety links : 
(EINECS) number :247-256-1
chemidplus :025773404
epa-srs :25773-40-4
  
other : 
 
references : 
pubchem :175046
NIST Chemistry WebBook :1102767539
  
synonyms :
 bean pyrazine
2-methoxy-3-(1-methyl ethyl) pyrazine
2-methoxy-3-isopropyl pyrazine
3-isopropyl-2-methoxypyrazine
2-isopropyl-3-methoxypyrazine
soluble in :
 alcohol
 water, 699 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 earth humus
 galbanum
 pepper bell pepper
 potato
 tomato
 vegetable
natural occurrence in :
pea green pea
potato
vegetables



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