2-methyl pyrazine
 
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IUPAC name :2-methylpyrazine
InChI :InChI=1/C5H6N2/c1-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey :CAWHJQAVHZEVTJ-UHFFFAOYAF
SMILES :CC1=NC=CN=C1
(EINECS) number :203-645-8
cas number :109-08-0
fema number :3309
coe number :2270
jecfa number :761
fl. number :14.027
molar refractivity :27.26 ± 0.3 cm3
parachor :233.2 ± 4.0 cm3
index of refraction :1.503 ± 0.02
surface tension :41.0 ± 3.0 dyne/cm
density :1.021 ± 0.06 g/cm3
polarizability :10.80 ± 0.5 10-24cm3
xlogp : 0.30
molecular weight : 94.1145400
formula :C5 H6 N2
 
 
fda reg :unspecified h. number :2933.90
organoleptics : 
odor type :nutty
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description :
at 1.00 % in dipropylene glycol.  
nutty cocoa roasted chocolate peanut green
taste description³ :at 75.00 ppm.  
Nutty, brown, roasted, musty and astringent
properties : 
appearence :colorless to pale yellow clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.01000 - 1.03000 @ 20.00 °C.
pounds per gallon - calc. : 8.414 to 8.581
refractive index :1.50400 - 1.50600 @ 20.00 °C.
melting point : -29.00 °C. @ 760.00 mm Hg
boiling point : 135.00 °C. @ 761.00 mm Hg
boiling point : 136.00 - 137.00 °C. @ 760.00 mm Hg
logp : 0.21
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    1800.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 122.00  °F.  TCC  ( 50.00 °C. )
  
recommendation for 2-methyl pyrazine usage levels up to :
  0.1000 % in the fragrance concentrate.
  
recommendation for 2-methyl pyrazine usage levels up to :
  75.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :203-645-8
rtecs :UQ3675000 for 109-08-0
chemidplus :000109080
epa-srs :109-08-0
dtp/nci :49138
  
other : 
 
references : 
jecfa number :761
fl. number :14.027
pubchem :151090
NIST Chemistry WebBook :1622508961
  
reference : Mosciano, Gerard P&F 19, No. 3, 51, (1994)³
synonyms :
 methyl pyrazine
2-methyl pyrazine
2-methyl-1,4-diazine
2-methylpyrazine
soluble in :
 alcohol
 fixed oils
 water, 1000000 mg/L @ 20C
(odor and/or flavor) blends with :
2-acetyl pyrazine
2-acetyl pyrrole
 acetyl pyrroline
2-acetyl thiazole
2-acetyl-2-thiazoline
2-acetyl-3-methyl pyrazine
 butyl laurate
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
 butyraldehyde
 caraway seed oleoresin
dextro-carvone
 cedrenyl acetate
 chocolate pyrazine A
 cocoa hexenal
 cocoa pyrazine
3,6-cocoa pyrazine
 coffee furanone
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
2,5-dihydroxy-1,4-dithiane
 diisoamyl thiomalate
 dimethyl dihydrocyclopentapyrazine
2,3-dimethyl pyrazine
2,5-dimethyl pyrazine
2,6-dimethyl pyrazine
2,6-dimethyl pyridine
2,5-dimethyl thiazole
4,5-dimethyl thiazole
2,4-dimethyl-5-vinyl thiazole
2-ethoxythiazole
2-ethyl pyrazine
 filbert heptenone
 filbert pyrazine
 furfural
 furfuryl alcohol
 furfuryl octanoate
 furfuryl thioacetate
laevo-glutamic acid
2-heptyl furan
 maltol
2-methoxy-3-methyl pyrazine
2-methoxy-4-vinyl phenol
2-methoxypyrazine
 methyl 2-(methyl thio) acetate
2-methyl thio-3,5 or 6-methyl pyrazine
 nutty pyrazine
 nutty quinoxaline
 peanut dithiazine
2-propionyl thiazole
2-propionyl-2-thiazoline
 shoyu furanone
 sulfuryl butyrate
 sulfuryl decanoate
 sulfuryl formate
 sulfuryl hexanoate
 sulfuryl isobutyrate
 sulfuryl octanoate
 sulfuryl propionate
 toffee furanone
2,3,5-trimethyl pyrazine
(odor and/or flavor) used in :
 bread
 butter
 chocolate
 chocolate cocoa
 coffee
 green
 meat roasted meat
 nut almond
 nut peanut butter
 potato
natural occurrence in :
almond roasted almond
asparagus
bread white bread
coffee
data pagelavender oil spike spain @ 0.074%
potato chip
shrimp



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