2,3-dimethyl pyrazine
 
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IUPAC name :2,3-dimethylpyrazine
InChI :InChI=1/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H3
InChIKey :OXQOBQJCDNLAPO-UHFFFAOYAW
SMILES :CC1=NC=CN=C1C
(EINECS) number :227-630-0
cas number :5910-89-4
fema number :3271
coe number :11323
jecfa number :765
fl. number :14.050
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 :2933.90.79
organoleptics : 
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
nutty coffee peanut butter walnut caramel leather
taste description³ :at 7.50 ppm.  
Musty, nut skins, cocoa powdery, roasted coffee and bready
properties : 
appearence :colorless to pale yellow clear liquid
assay : 99.00 - 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.00000 - 1.02200 @ 20.00 °C.
pounds per gallon - calc. : 8.331 to 8.514
refractive index :1.50600 - 1.50900 @ 20.00 °C.
boiling point : 155.00 - 157.00 °C. @ 760.00 mm Hg
logp : 0.54
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Oral-Rat    613.00  mg/kg    
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 128.00  °F.  TCC  ( 53.33 °C. )
  
recommendation for 2,3-dimethyl pyrazine usage levels up to :
  0.0500 % in the fragrance concentrate.
  
recommendation for 2,3-dimethyl pyrazine usage levels up to :
  10.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :227-630-0
rtecs :UQ2625000 for 5910-89-4
chemidplus :005910894
epa-srs :5910-89-4
  
other : 
 
references : 
jecfa number :765
fl. number :14.050
pubchem :164876
NIST Chemistry WebBook :3299745240
  
reference : Mosciano, Gerard P&F 21, No. 6, 49, (1996)³
synonyms :
2,3-dimethyl pyrazine
2,3-dimethyl-1,4-diazine
2,3-dimethylpyrazine
soluble in :
 alcohol
 ether
 water, 38200 mg/L @ 25C
stability :
 non-discoloring in most media
 stable in most media
(odor and/or flavor) blends with :
6-acetoxydihydrotheaspirane
2-acetyl pyrazine
2-acetyl pyrrole
 acetyl pyrroline
2-acetyl-2-thiazoline
2-acetyl-3-ethyl pyrazine
2-acetyl-3-methyl pyrazine
isoamyl alcohol
 basil oleoresin sweet
 benzyl methyl sulfide
 butyl decanoate
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
 butyraldehyde
 caraway seed oleoresin
dextro-carvone
 champaca absolute
 champaca flower oil
 chocolate pyrazine A
 chocolate pyrazine B
 clary sage absolute
 clary sage oil
 cocoa hexenal
 cocoa pyrazine
3,6-cocoa pyrazine
 coffee furanone
(-)-cubenol
 cyperus root oil
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
2,5-dihydroxy-1,4-dithiane
 diisoamyl thiomalate
 dimethyl benzyl carbinyl propionate
 dimethyl dihydrocyclopentapyrazine
2,5-dimethyl furan
2,5-dimethyl pyrazine
2,6-dimethyl pyridine
2,4-dimethyl thiazole
2,5-dimethyl thiazole
4,5-dimethyl thiazole
2,4-dimethyl-3-oxazoline
2-ethoxythiazole
 ethyl cyclopentenolone
5-ethyl-2-methyl pyridine
2-ethyl-3-methoxypyrazine
2-ethyl-6-methyl pyrazine
 filbert heptenone
 filbert pyrazine
 furfural
 furfuryl alcohol
 furfuryl octanoate
 furfuryl thioacetate
 genet absolute
 geranyl formate
laevo-glutamic acid
 green pea pyrazine
 guaiacyl phenyl acetate
(-)-guaiol
 guaiyl acetate
 heptyl butyrate
2-heptyl furan
 maltol
3-mercapto-2-butanone
3-mercapto-2-pentanone
 methional
2-methoxy-3-propyl pyrazine
 methyl 2-(methyl thio) acetate
 methyl 2-methyl-3-furyl disulfide
2-methyl 3-(methyl thio) furan 10% in triacetin
alpha-isomethyl ionone (90% min.)
2-methyl pyrazine
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
dextro,laevo-3-(methyl thio) butanone
3-methyl-2-butane thiol
2-methyl-3-tetrahydrofuran thiol
 nutty pyrazine
 nutty quinoxaline
 phenethyl isobutyrate
ketoisophorone
 potato butanone
 potato butyraldehyde
 propionaldehyde
2-propionyl thiazole
2-propionyl-2-thiazoline
 propylene glycol acetone ketal
2-pyridinyl methane thiol
 rum ether
 shoyu furanone
 sulfurol
 sulfuryl acetate
 sulfuryl butyrate
 sulfuryl decanoate
 sulfuryl formate
 sulfuryl hexanoate
 sulfuryl isobutyrate
 sulfuryl octanoate
 sulfuryl propionate
 tea acetate
 tetrahydrolinalool
1-(2-thienyl) butanone
 toffee furanone
2,4,5-trimethyl oxazole
2,3,5-trimethyl pyrazine
(odor and/or flavor) used in :
 bread
 chocolate
 chocolate cocoa
 coffee
 meat
 nut hazelnut
 nut peanut
 popcorn
 roasted
 shellfish
 soup
 vegetable
natural occurrence in :
asparagus
barley roasted barley
cabbage
cocoa
coffee
dairy products
data pagelavender oil spike spain @ 0.063%
meat
nuts
papaya
potato chip
shrimp



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