2-methoxypyrazine
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IUPAC name :2-methoxypyrazine
InChI :InChI=1/C5H6N2O/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey :WKSXRWSOSLGSTN-UHFFFAOYAW
cas number :3149-28-8
(EINECS) number :221-579-8
fema number :3302
coe number :11347
jecfa number :787
fl. number :14.054
molar refractivity :29.11 ± 0.3 cm3
parachor :252.2 ± 4.0 cm3
index of refraction :1.494 ± 0.02
surface tension :40.6 ± 3.0 dyne/cm
density :1.102 ± 0.06 g/cm3
polarizability :11.54 ± 0.5 10-24cm3
XlogP : 0.60
molecular weight : 110.1139400 (IUPAC)
formula :C5 H6 N2 O
 
 
export tariff code :2933.90
fda reg :unspecified

Suppliers :
Advanced Biotech :2-METHOXY PYRAZINE
Hofmen :2-Methoxypyrazine
Jiangyin Healthway :2-Methoxy pyrazine
Penta :2-methoxypyrazine
SAFC Global® :2-Methoxypyrazine
≥99%, FCC, Kosher
Odor:  chocolate; nutty
Tokyo Chemical Industry :2-Methoxypyrazine
>98.0%(GC)

organoleptics :
odor type :chocolate
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  
sweet nutty cocoa

properties :
appearence :colorless to pale yellow clear liquid
assay : 99.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
specific gravity :1.11000 to 1.14000 @ 20.00 °C.
pounds per gallon - calc. : 9.247 to 9.497
specific gravity :1.10900 to 1.14000 @ 25.00 °C.
pounds per gallon - calc. : 9.228 to 9.486
refractive index :1.50800 to 1.51100 @ 20.00 °C.
boiling point : 60.00 to 61.00 °C. @ 29.00 mm Hg
vapor pressure :1.60000 mm/Hg @ 25.00 °C.
flash point : 114.00  °F.  TCC  ( 45.56 °C. )
logP (o/w) : 0.73

safety :
most important hazard(s) :Xn - Harmful.
  R 10 - Flammable.
R 22 - Harmful if swallowed.
R 37/38 - Irritating to respiratory system and skin.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
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) :3.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :1.00 (μg/capita/day)
 
recommendation for 2-methoxypyrazine fragrance usage levels up to :
  0.0100 % in the fragrance concentrate.
recommendation for 2-methoxypyrazine flavor usage levels up to :
  10.0000 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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 
2-methoxypyrazine
(EINECS) number :221-579-8
chemidplus :003149288
EPA Substance Registry Services :3149-28-8

references :
 
2-methoxypyrazine
fl. number :14.054
jecfa number :787
NIST Chemistry WebBook :3354733797
pubchem :161493

other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2-methoxy-1,4-diazine

soluble in :
 alcohol
 water, 25900 mg/L @ 25C

potential blenders :    note
 benzyl methyl sulfideFL
2,5-dimethyl furanFL
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2,4-dimethyl thiazoleFL
2,4-dimethyl-3-oxazolineFL
2,4-dimethyl-5-vinyl thiazoleFL
3-mercapto-2-butanoneFL
 methyl 2-methyl-3-furyl disulfideFL
2-methyl 3-(methyl thio) furan 10% in triacetinFL
2-methyl pyrazineFL/FR
3-methyl-2-butane thiolFL
2-methyl-3-tetrahydrofuran thiolFL
2-pyridinyl methane thiolFL
 sulfurolFL
 sulfuryl acetateFL
1-(2-thienyl) butanoneFL
2,4,5-trimethyl oxazoleFL

potential uses :
 beef
 chocolate cocoa
 krill
 nut

natural occurrence in :    note
 beef  
 krill  

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