2-ethyl-6-methyl pyrazine
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IUPAC name :2-ethyl-6-methylpyrazine
InChI :InChI=1/C7H10N2/c1-3-7-5-8-4-6(2)9-7/h4-5H,3H2,1-2H3
InChIKey :RAFHQTNQEZECFL-UHFFFAOYAR
SMILES :CCC1=NC(=CN=C1)C
cas number :13925-03-6
(EINECS) number :237-692-0
fema number :3919
coe number :11331
jecfa number :769
fl. number :14.114
molar refractivity :36.80 ± 0.3 cm3
parachor :309.8 ± 4.0 cm3
index of refraction :1.500 ± 0.02
surface tension :37.7 ± 3.0 dyne/cm
density :0.977 ± 0.06 g/cm3
polarizability :14.59 ± 0.5 10-24cm3
XlogP : 0.90
molecular weight : 122.1677000 (IUPAC)
formula :C7 H10 N2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :potato
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		roasted potato
properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
additional assay information :sum of 2,3- 2,5- and 2,6- isomers
Food Chemicals Codex Listed :No
specific gravity :0.96700 to 0.98000 @ 25.00 °C.
pounds per gallon - calc. : 8.046 to 8.155
refractive index :1.48700 to 1.49700 @ 20.00 °C.
boiling point : 80.00 °C. @ 50.00 mm Hg
boiling point : 170.00 to 171.00 °C. @ 760.00 mm Hg
vapor pressure :1.98000 mm/Hg @ 25.00 °C.
flash point : 145.00  °F.  TCC  ( 62.78 °C. )
logP (o/w) : 1.17
safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.37 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.40 (μg/capita/day)
 
recommendation for 2-ethyl-6-methyl pyrazine fragrance usage levels up to :
 not for fragrance use.
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
Canada Domestic Sub. List :Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 
2-ethyl-6-methylpyrazine
(EINECS) number :237-692-0
chemidplus :013925036
EPA Substance Registry Services :13925-03-6
references :
 
2-ethyl-6-methylpyrazine
fl. number :14.114
jecfa number :769
NIST Chemistry WebBook :1700353421
pubchem :169074
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-ethyl-6-methyl-1,4-diazine
2-ethyl-6-methylpyrazine
6-methyl-2-ethyl pyrazine
2-methyl-6-ethyl pyrazine
soluble in :
 alcohol
 water
potential blenders :
2-acetyl-3-ethyl pyrazineFL
 cocoa hexenalFL/FR
3,6-cocoa pyrazineFL
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL
 green pea pyrazineFL
3-mercapto-2-pentanoneFL
 methionalFL
2-methoxy-3-propyl pyrazineFL
 methyl 2-(methyl thio) acetateFL
2-(methyl thio) acetaldehydeFL
4-(methyl thio) butanolFL
dextro,laevo-3-(methyl thio) butanoneFL
 nutty pyrazineFL
 potato butanoneFL
 potato butyraldehydeFL
 propylene glycol acetone ketalFL
potential uses :
 potato
natural occurrence in :
 coffee  
data pagelavender oil spike spain @ 0.112% S



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