bean pyrazine
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IUPAC name :2-methoxy-3-propan-2-ylpyrazine
InChI :InChI=1/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
InChIKey :NTOPKICPEQUPPH-UHFFFAOYAE
SMILES :CC(C)C1=NC=CN=C1OC
cas number :25773-40-4
(EINECS) number :247-256-1
fema number :3358
coe number :11344
fl. number :14.057
molar refractivity :43.29 ± 0.3 cm3
parachor :367.2 ± 4.0 cm3
index of refraction :1.489 ± 0.02
surface tension :35.9 ± 3.0 dyne/cm
density :1.014 ± 0.06 g/cm3
polarizability :17.16 ± 0.5 10-24cm3
XlogP : 1.50
XlogP3 : 2.00
molecular weight : 152.1936800 (IUPAC)
formula :C8 H12 N2 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Frutarom :2-METHOXY-3 (5/6)-ISOPROPYL PYRAZINE
≥99.00% (sum of isomers), NI, Kosher
Odor:  Chocolate, Etheral, Nutty, Warm.
Penta :2-methoxy-3-isopropyl pyrazine
Sigma-Aldrich-Aldrich :3-Isopropyl-2-methoxypyrazine
TCI AMERICA :2-Isopropyl-3-methoxypyrazine
>98.0%(GC)
Tokyo Chemical Industry :2-Isopropyl-3-methoxypyrazine
>98.0%(GC)
organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  		pea earthy beany
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.99600 @ 25.00 °C.
boiling point : 120.00 to 125.00 °C. @ 20.00 mm Hg
boiling point : 189.00 to 190.00 °C. @ 760.00 mm Hg
vapor pressure :0.11300 mm/Hg @ 25.00 °C.
vapor density :5.2 ( Air = 1 )
flash point : 152.00  °F.  TCC  ( 66.67 °C. )
logP (o/w) : 2.37
safety :
most important hazard(s) :Xi - Irritant
  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) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for bean pyrazine usage levels up to :
 not for fragrance use.
recommendation for bean pyrazine usage levels up to :
  0.1000 ppm in the flavor.
safety references :
EPI System :view
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 2-methoxy-3-propan-2-ylpyrazine
(EINECS) number :247-256-1
chemidplus :025773404
EPA Substance Registry Services :25773-40-4
references :
 2-methoxy-3-propan-2-ylpyrazine
fl. number :14.057
NIST Chemistry WebBook :1102767539
pubchem :175046
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-methoxy-3-(1-methyl ethyl) pyrazine
2-methoxy-3-isopropyl pyrazine
2-methoxy-3-propan-2-ylpyrazine
3-isopropyl-2-methoxypyrazine
2-isopropyl-3-methoxypyrazine
soluble in :
 alcohol
 water, 699 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 amyl cinnamate
 amyl formate
 benzyl disulfide
alpha-benzylidene methional
 bornyl formate
isobutyl hexanoate
 butyl isovalerate
2-isobutyl-3-methoxypyrazine
2-sec-butyl-3-methoxypyrazine
 coffee pyrazine
 ethyl (Z)-3-hexenoate
 ethyl 2-cyclohexyl propionate
 fern absolute
 geranium absolute
 geranyl isobutyrate
delta-heptalactone
2-heptyl tetrahydrofuran
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl tiglate
 hexyl 2-furoate
6-hydroxydihydrotheaspirane (mixture of isomers)
 linalool oxide
1-nonen-3-ol
 nutty quinoxaline
1-octen-3-ol
 octyl acetate
 octyl isobutyrate
2-pentyl furan
2-phenyl propyl acetate
1-phenyl-2-pentanol
 propyl 2,4-decadienoate
 propylene glycol acetone ketal
 reseda acetal
2,3,5,6-tetramethyl pyrazine
 tropical trithiane
 vanilla absolute
 vanilla oleoresin
 vanillic acid
(odor and/or flavor) used in :
 earth humus
 galbanum
 pepper bell pepper
 potato
 tomato
 vegetable
natural occurrence in :
pea green pea
potato
vegetables



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