isopropyl pyrazine
 
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IUPAC name :2-propan-2-ylpyrazine
InChI :InChI=1/C7H10N2/c1-6(2)7-5-8-3-4-9-7/h3-6H,1-2H3
InChIKey :GIMBKDZNMKTZMG-UHFFFAOYAV
SMILES :CC(C)C1=NC=CN=C1
(EINECS) number :249-646-7
cas number :29460-90-0
fema number :3940
coe number :11343
jecfa number :764
fl. number :14.123
molar refractivity :36.62 ± 0.3 cm3
parachor :310.6 ± 4.0 cm3
index of refraction :1.493 ± 0.02
surface tension :36.9 ± 3.0 dyne/cm
density :0.969 ± 0.06 g/cm3
polarizability :14.51 ± 0.5 10-24cm3
xlogp : 0.90
molecular weight : 122.1677000
formula :C7 H10 N2
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor type :minty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
minty green nutty honey

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96700 - 0.97200 @ 25.00 °C.
pounds per gallon - calc. : 8.046 to 8.088
refractive index :1.48600 - 1.49600 @ 20.00 °C.
boiling point : 70.00 °C. @ 20.00 mm Hg
boiling point : 169.00 - 170.00 °C. @ 760.00 mm Hg
logp : 1.06

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
  
flash point ( Deg. F. ) : 144.00  °F.  TCC  ( 62.22 °C. )
  
recommendation for isopropyl pyrazine usage levels up to :
 not for fragrance use.
  

safety links :
(EINECS) number :249-646-7
chemidplus :029460900
epa-srs :29460-90-0
  

other :
 

references :
jecfa number :764
fl. number :14.123
pubchem :176319
NIST Chemistry WebBook :2243232961
  
synonyms :
(1-methyl ethyl) pyrazine
2-isopropyl pyrazine
isopropyl pyrazine
2-isopropylpyrazine
soluble in :
 alcohol
 water
(odor and/or flavor) blends with :
2,5-diethyl-4-methyl thiazole
2,3-dimethyl pyrazine
2-ethyl-4-methyl thiazole
2-methyl pyrazine
4-methyl thiazole
 shoyu pyrazine
(odor and/or flavor) used in :
 green
 herbal
 lavender
 mint
 peppermint
natural occurrence in :
not found in nature



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