2,6-dimethyl pyrazine
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IUPAC name :2,6-dimethylpyrazine
InChI :InChI=1/C6H8N2/c1-5-3-7-4-6(2)8-5/h3-4H,1-2H3
InChIKey :HJFZAYHYIWGLNL-UHFFFAOYAT
SMILES :CC1=CN=CC(=N1)C
cas number :108-50-9
(EINECS) number :203-589-4
beilstein number :0107052
fema number :3273
coe number :2211
jecfa number :767
fl. number :14.021
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 (IUPAC)
formula :C6 H8 N2
NMR Predictor :Predict
 
 
export tariff code :2933.90
fda reg :unspecified
Suppliers :
Advanced Biotech :2,6-DIMETHYL PYRAZINE
Odor:  Chocolate, Nutty, Roasted
Fontarome :2,6-DIMETHYLPYRAZINE
Odor:  Roast, Coffee, Earthnut, Meat
Frutarom :2,6-DIMETHYLPYRAZINE
≥99.00%, NI, Kosher
Odor:  Cocoa, Coffee, Meaty, Nutty, Roast
Suggested Uses: Bakery, Chocolate, Cocoa, Coffee, Nut, Savoury, Tobacco
Hofmen :2,6-Dimethylpyrazine
Moellhausen :2,6-dimethyl pyrazine
98% min. nature identical kosher
Odor:  coffee, nut, cocoa, aromatic.
Flavor:  cocoa.
Penta :2,6-dimethyl pyrazine
SAFC Global® :2,6-Dimethylpyrazine
Odor:  meaty; nutty; coffee.
Tokyo Chemical Industry :2,6-Dimethylpyrazine
>98.0%(GC)(T)
Treatt :2,6-Dimethylpyrazine
organoleptics :
odor type :chocolate
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		cocoa roasted nuts roast beef coffee
properties :
appearence :white to yellow crystals
assay : 98.00 to 100.00 %   
additional assay information :sum of 2,3- 2,5- and 2,6- isomers
Food Chemicals Codex Listed :Yes
melting point : 33.00 to 37.00 °C. @ 760.00 mm Hg
boiling point : 154.00 to 155.00 °C. @ 760.00 mm Hg
vapor pressure :1.50000 mm/Hg @ 25.00 °C.
flash point : 127.00  °F.  TCC  ( 52.78 °C. )
logP (o/w) : 0.54
safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Oral-Rat    880.00  mg/kg

Intraperitoneal-Mouse    1080.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :2.00 (μg/capita/day)
 
recommendation for 2,6-dimethyl pyrazine fragrance usage levels up to :
  0.0500 % in the fragrance concentrate.
recommendation for 2,6-dimethyl pyrazine flavor usage levels up to :
  20.0000 ppm in the flavor.
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Chemical Carcinogenesis Research Information System :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1325
 
WGK Germany :3
 
 
 
 
2,6-dimethylpyrazine
(EINECS) number :203-589-4
RTECS :UQ2975000 for cas# 108-50-9
chemidplus :000108509
EPA Substance Registry Services :108-50-9
references :
 
2,6-dimethylpyrazine
fl. number :14.021
jecfa number :767
NIST Chemistry WebBook :1250591221
pubchem :151049
Flavornet :108-50-9
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2,6-dimethyl paradiazine
2,6-dimethyl piazine
2,6-dimethyl-1,4-diazine
2,6-dimethylpyrazine
soluble in :
 alcohol
 essential oils
 water, 38200 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
6-acetoxydihydrotheaspiraneFL/FR
2-acetyl pyrazineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl-2-thiazolineFL
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
isoamyl alcoholFL
 basil oleoresin sweetFL/FR
 benzyl methyl sulfideFL
 butyl decanoateFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyraldehydeFL
 caraway seed oleoresinFL
dextro-carvoneFL/FR
 champaca absoluteFR
 champaca flower oilFR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 clary sage absoluteFL/FR
 clary sage oilFL/FR
 cocoa hexenalFL/FR
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 coffee furanoneFL
(-)-cubenol 
 cyperus root oilFR
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
2,5-dihydroxy-1,4-dithianeFL
 diisoamyl thiomalateFL
 dimethyl benzyl carbinyl propionateFR
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl furanFL
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,4-dimethyl thiazoleFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,4-dimethyl-3-oxazolineFL
2-ethoxythiazoleFL
 ethyl cyclopentenoloneFL/FR
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-6-methyl pyrazineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuralFL
 furfuryl alcoholFL
 furfuryl octanoateFL
 furfuryl thioacetateFL
 genet absoluteFL/FR
 geranyl formateFL/FR
laevo-glutamic acidCS
 green pea pyrazineFL
 guaiacyl phenyl acetateFL/FR
(-)-guaiolFR
 guaiyl acetateFL/FR
 heptyl butyrateFL/FR
2-heptyl furanFL
 maltolFL/FR
3-mercapto-2-butanoneFL
3-mercapto-2-pentanoneFL
 methionalFL
2-methoxy-3-propyl pyrazineFL
 methyl 2-(methyl thio) acetateFL
 methyl 2-methyl-3-furyl disulfideFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
alpha-isomethyl ionone (90% min.)FL/FR
2-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
4-(methyl thio) butanolFL
dextro,laevo-3-(methyl thio) butanoneFL
3-methyl-2-butane thiolFL
2-methyl-3-tetrahydrofuran thiolFL
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 phenethyl isobutyrateFL/FR
ketoisophoroneFL/FR
 potato butanoneFL
 potato butyraldehydeFL
 propionaldehydeFL
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propylene glycol acetone ketalFL
2-pyridinyl methane thiolFL
 rum etherFL/FR
 shoyu furanoneFL/FR
 sulfurolFL
 sulfuryl acetateFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
 tea acetateFR
 tetrahydrolinaloolFL/FR
1-(2-thienyl) butanoneFL
 toffee furanoneFL/FR
2,4,5-trimethyl oxazoleFL
2,3,5-trimethyl pyrazineFL
potential uses :
 beef roasted beef
 bread
 chocolate cocoa
 coffee
 fried
 maple
 nut
 tobacco tabac tabaco
 vegetable
 yeast
natural occurrence in :    note
 beef roasted beef  
 beer  
 bread white bread  
 coffee roasted coffee  
data pagelavender oil spike spain @ 0.310% S
 potato chip  
 tea  
 whiskey  

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