chocolate pyrazine B
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IUPAC name :2-methoxy-3-methylpyrazine
InChI :InChI=1/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
InChIKey :VKJIAEQRKBQLLA-UHFFFAOYAT
SMILES :CC1=NC=CN=C1OC
cas number :2847-30-5
(EINECS) number :220-651-6
fema number :3183
coe number :2266
jecfa number :788
fl. number :14.126
molar refractivity :33.93 ± 0.3 cm3
parachor :289.8 ± 4.0 cm3
index of refraction :1.496 ± 0.02
surface tension :38.7 ± 3.0 dyne/cm
density :1.068 ± 0.06 g/cm3
polarizability :13.45 ± 0.5 10-24cm3
XlogP : 1.00
XlogP3 : 1.20
molecular weight : 124.1405200 (IUPAC)
formula :C6 H8 N2 O
NMR Predictor :Predict
 
 
IUPAC name :2-methoxy-6-methylpyrazine
InChI :InChI=1/C6H8N2O/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3
InChIKey :MYDVJLOKNIAHPH-UHFFFAOYAN
SMILES :CC1=CN=CC(=N1)OC
cas number :2882-21-5
(EINECS) number :220-737-3
fema number :3183
coe number :2266
fl. number :14.025
molar refractivity :33.93 ± 0.3 cm3
parachor :289.8 ± 4.0 cm3
index of refraction :1.496 ± 0.02
surface tension :38.7 ± 3.0 dyne/cm
density :1.068 ± 0.06 g/cm3
polarizability :13.45 ± 0.5 10-24cm3
XlogP : 1.00
XlogP3 : 1.30
molecular weight : 124.1405200 (IUPAC)
formula :C6 H8 N2 O
NMR Predictor :Predict
 
 
export tariff code :2933.90
fda reg :unspecified
Suppliers :
Need This Molecule?:You can contact the Chemical Sources Association and ask the Sourceress.
organoleptics :
odor type :chocolate
properties :
appearence :colorless clear liquid
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
vapor pressure :0.58400 mm/Hg @ 25.00 °C.
vapor density :4.2 ( Air = 1 )
flash point : 130.00  °F.  TCC  ( 54.44 °C. )
logP (o/w) : 1.24
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) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for chocolate pyrazine B fragrance usage levels up to :
 not for fragrance use.
recommendation for chocolate pyrazine B flavor usage levels up to :
  5.0000 ppm in the flavor.
safety references :
EPI System :view
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
WISER :UN 1993
 
WGK Germany :3
 
 
 
 
2-methoxy-3-methylpyrazine
(EINECS) number :220-651-6
chemidplus :002847305
EPA Substance Registry Services :2847-30-5
 
 
 
2-methoxy-6-methylpyrazine
(EINECS) number :220-737-3
chemidplus :002882215
EPA Substance Registry Services :2882-21-5
references :
 
2-methoxy-3-methylpyrazine
fl. number :14.126
jecfa number :788
NIST Chemistry WebBook :1605373978
pubchem :161011
 
2-methoxy-6-methylpyrazine
fl. number :14.025
NIST Chemistry WebBook :178627740
pubchem :10517161
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 chocolate pyrazine B
2-methoxy-(3,6)-methyl pyrazine
2-methoxy-3-methyl pyrazine + 2-methoxy-6-methyl pyrazine
2-methoxy-3-methyl pyrazine + 5-methoxy-3-methyl pyrazine
2-methoxy-3-methylpyrazine
2--3-methoxymethyl pyrazine
soluble in :
 alcohol
 water, 8460 mg/L @ 25C
stability :
potential blenders :    note
 acetophenoneFL/FR
 acetyl acetaldehyde dimethyl acetalFL
2-acetyl furanFL/FR
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
2-acetyl pyridineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 allspice oilFL/FR
 allyl 2-ethyl butyrateFL
 almond oil bitterFL/FR
isoamyl benzoateFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl cinnamateFL/FR
isoamyl cinnamateFL/FR
alpha-amyl cinnamyl acetateFL/FR
isoamyl nonanoateFL/FR
 amyl phenyl acetateFL/FR
isoamyl phenyl acetateFL/FR
 amyl salicylateFL/FR
 amyris wood oilFL/FR
alpha-angelica lactoneFL/FR
ortho-anisaldehydeFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 beeswax absoluteFL/FR
 benzaldehydeFL/FR
 benzaldehyde / methyl anthranilate schiff's baseFR
 benzaldehyde dimethyl acetalFL/FR
 benzaldehyde glycrol acetalFL/FR
2-benzofuran carboxaldehydeFL/FR
 benzoin resinoidFL/FR
 benzothiazoleFL
 benzyl cinnamateFL/FR
 benzyl isoeugenolFL/FR
 benzyl salicylateFL/FR
 bois de rose oilFL/FR
 bornyl isobutyrateFL/FR
 boronia butenalFR
 bread thiopheneFL/FR
 butyl 2-methyl butyrateFL/FR
isobutyl benzoateFL/FR
 butyl cinnamateFL/FR
isobutyl cinnamateFL/FR
 butyl phenyl acetateFL/FR
isobutyl phenyl acetateFL/FR
isobutyl quinolineFR
isobutyl quinolineFR
2-isobutyl-3,(5 and 6)-dimethyl pyrazineFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyraldehydeFL
 butyramideFL
 butyroinFL
 caramel furanoneFL
 carnation absoluteFR
 cassia bark oilFL/FR
 cherry laurel oilFL
 chocolate notes 
 cinnamyl alcoholFL/FR
 clary sage oilFL/FR
 clove bud oilFL/FR
 cocoa butenalFL/FR
 cocoa hexenalFL/FR
 cocoa oleoresinFL
 cocoa pentenalFL/FR
 cocoa propanalFL
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coffee furanoneFL
 coumaneFL/FR
 coumarinFR
para-cresyl laurateFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl methyl pyrazineFL
(E,E)-2,4-decadien-1-alFL
gamma-decalactoneFL/FR
 dibenzyl ketoneFL/FR
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dihydroxyacetophenoneFL
 dimethyl anthranilateFL/FR
2,4-dimethyl benzaldehydeFL/FR
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
4,5-dimethyl-2-ethyl thiazoleFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
2,4-dimethyl-5-vinyl thiazoleFL
2-ethoxythiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
4-ethyl benzaldehydeFL/FR
2-ethyl butyraldehydeFL
 ethyl cinnamateFL/FR
2-ethyl furanFL
4-ethyl guaiacolFL/FR
 ethyl maltolFL/FR
 ethyl phenyl acetateFL/FR
2-ethyl pyrazineFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
5-ethyl-2-thiophene carboxaldehydeFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-3,5(6)-dimethyl pyrazine mixtureFL
2-ethyl-4-butanolFL/FR
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 eugenolFL/FR
 fenugreek oleoresinFL
 fenugreek resinoidFL/FR
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuralFL
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
 geranyl crotonateFR
laevo-glutamineCS
 guaiacwood oilFL/FR
 gurjun balsam oilFR
 hay absoluteFR
 hazelnut notes 
 hazelnut oleoresinFL
 hazelnut pyrazineFL/FR
 heliotropinFL/FR
(E,E)-2,4-heptadien-1-olFL
gamma-heptalactoneFL/FR
2-heptyl furanFL
2,4-hexadien-1-olFL
gamma-hexalactoneFL/FR
3,4-hexane dioneFL/FR
2-hexen-1-alFL
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
2-hexyl-5 or 6-keto-1,4-dioxaneFL
 ho leaf oilFR
4-hydroxybenzoic acidFL
 immortelle absoluteFL/FR
 labdanum resinoidFR
 maltolFL/FR
 maraniolCS
 menthofuranFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2'-methoxyacetophenoneFL/FR
2-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
 methyl acetophenoneFL/FR
2-methyl anisoleFL/FR
para-methyl anisoleFL/FR
 methyl benzoateFL/FR
2-methyl butyraldehydeFL
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
 methyl cyclopentenoloneFL/FR
 methyl dihydrojasmonateFL/FR
 methyl ethoxypyrazineFL
2-methyl furanFL
 methyl ionones 
 methyl isoeugenolFL/FR
 methyl phenyl acetateFL/FR
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl salicylaldehydeFL
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
 methyl valerateFL/FR
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-propyl pyrazineFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
2-methyl-5-isopropyl pyrazineFL
(E,E)-2,4-nonadien-1-alFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
gamma-nonalactoneFL/FR
 nutmeg oilFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 oakmoss absoluteFL/FR
 ocean propanalFL/FR
 orris pyridineFR
 patchouli ethanoneFR
 peanut dithiazineFL
 peanut oxazoleFL
 pepper oil blackFL/FR
 peru balsam oilFL/FR
 phenethyl octanoateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde diethyl acetalFL/FR
 phenyl acetaldehyde diisobutyl acetalFL/FR
 phenyl acetic acidFL/FR
3-phenyl propyl alcoholFL/FR
 phenyl pyruvic acidFL/FR
 popcorn pyrimidineFL/FR
 powdery ketoneFL
 prenyl benzoateFL/FR
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
isopropyl formateFL/FR
isopropyl pyrazineFL
2-propyl pyridineFL
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 saffron pyranoneFR
 sandalwood oilFL/FR
 santallFR
 shoyu pyrazineFL/FR
 strawberry furanoneFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
alpha-terpineolFL/FR
 tetrahydrolinaloolFL/FR
2,3,5,6-tetramethyl pyrazineFL
(E)-tiglic aldehydeFL/FR
 tobacco butenalFR
 tobacco dodecaneFR
 tolualdehyde glyceryl acetalFL/FR
 tonka bean absoluteFR
 tonka bean resinoidFR
 tricyclodecenyl isobutyrateFR
2,3,5-trimethyl pyrazineFL
2,4,5-trimethyl thiazoleFL/FR
 tropical thiazoleFL/FR
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
gamma-valerolactoneFL/FR
 vanilla absoluteFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl isobutyrateFL/FR
 verymossFR
 vetiver oilFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
 woody acetateFR
 woody amyleneFR
 ylang ylang oilFL/FR
potential uses :
 almond
 caramel
 chocolate cacao
 chocolate cocoa
 coffee
 nut
 nut almond
 nut hazelnut
 nut peanut
natural occurrence in :    note
 found in nature  

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