2-sec-butyl-3-methoxypyrazine
 
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IUPAC name :2-butan-2-yl-3-methoxypyrazine
InChI :InChI=1/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3
InChIKey :QMQDJVIJVPEQHE-UHFFFAOYAC
SMILES :CCC(C)C1=NC=CN=C1OC
(EINECS) number :246-050-9
cas number :24168-70-5
fema number :3433
coe number :11300
jecfa number :791
fl. number :14.062
molar refractivity :47.93 ± 0.3 cm3
parachor :407.0 ± 4.0 cm3
index of refraction :1.487 ± 0.02
surface tension :35.7 ± 3.0 dyne/cm
density :0.998 ± 0.06 g/cm3
polarizability :19.00 ± 0.5 10-24cm3
xlogp : 2.10
molecular weight : 166.2202600
formula :C9 H14 N2 O
 
 
fda reg :unspecified h. number :2933.90
organoleptics : 
odor type :green
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
musty green pea galbanum bell pepper
taste description³ :at 1.00 ppm.  
Musty, vegetative, potato, galbanum, fishy and earthy
properties : 
appearence :colorless clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :1.00000 @ 25.00 °C.
refractive index :1.49200 @ 20.00 °C.
boiling point : 50.00 °C. @ 1.00 mm Hg
boiling point : 218.00 - 219.00 °C. @ 760.00 mm Hg
logp : 2.62
safety : 
most important hazard(s) : Xn - Harmful.
  
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 171.00  °F.  TCC  ( 77.22 °C. )
  
recommendation for 2-sec-butyl-3-methoxypyrazine usage levels up to :
  0.1000 % in the fragrance concentrate.
  
recommendation for 2-sec-butyl-3-methoxypyrazine usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :246-050-9
chemidplus :024168705
epa-srs :24168-70-5
  
other : 
 
references : 
jecfa number :791
fl. number :14.062
pubchem :204746
NIST Chemistry WebBook :1864448290
  
reference : Mosciano, Gerard P&F 23, No. 3, 55, (1998)³
synonyms :
 asparagus pyrazine
2-butan-2-yl-3-methoxypyrazine
3-sec-butyl-2-methoxypyrazine
3-tert-butyl-2-methoxypyrazine
2-sec-butyl-3-methoxypyrazine
2-sec-butyl-3(5/6)-methoxypyrazine
2-methoxy-3-(1-methyl propyl) pyrazine
2-methoxy-3-sec-butyl pyrazine
soluble in :
 alcohol
insoluble in :
 water
stability :
 stable in most media
(odor and/or flavor) blends with :
 acetaldehyde ethyl phenethyl acetal
2-acetyl-3-ethyl pyrazine
 algae absolute
 allyl amyl glycolate
isoamyl benzoate
 amyris wood oil
 animal carbolactone
 anise seed oil
para-anisyl alcohol
 bean pyrazine
 benzoin resinoid
 benzyl alcohol
 benzyl benzoate
 benzyl salicylate
 bois de rose oil
isobutyl hexanoate
 butyl isovalerate
S-sec-butyl thioisovalerate
2-isobutyl-3-methoxypyrazine
 caraway seed oil
 carrot seed oil
 cedarleaf oil
 cedarwood oils
 cinnamyl alcohol
 cistus oil
 citronellyl acetate
 citrus carbaldehyde
 clary sage oil
 clover nitrile
 cocoa hexenal
3,6-cocoa pyrazine
 cortex pyridine
 costus root oil
 costus valerolactone
 cotinus coggygria oil
para-cresyl caprylate
 cubeb oil
 cumin seed oil
 cuminaldehyde
 cyclamen aldehyde
 cyclohexyl ethyl alcohol
gamma-decalactone
 decanal
 decyl acetate
 dihydromyrcenol
 dimethyl hydroquinone
 dodecanal
 dodecanol
 ethyl (Z)-3-hexenoate
 ethyl 2-cyclohexyl propionate
 ethyl laurate
5-ethyl-2-methyl pyridine
2-ethyl-3-methoxypyrazine
2-ethyl-6-methyl pyrazine
 fir balsam absolute
 fir needle oil
 floral pyranol
 flouve absolute
 frankincense oil
 galbanum decatriene
 galbanum ketone
 galbanum oxathiane
 galbanum oxyacetate
 geranyl acetate
(E)-geranyl acetone
 geranyl isobutyrate
 grapefruit pentanol
 green acetate
 green pea pyrazine
 heliotropyl diethyl acetal
2-heptyl cyclopentanone
2-heptyl tetrahydrofuran
(Z)-3-hexen-1-yl benzoate
(Z)-3-hexen-1-yl propionate
(Z)-3-hexen-1-yl salicylate
 hexyl 2-furoate
 hexyl 2-methyl butyrate
alpha-hexyl cinnamaldehyde
 hexyl tiglate
 hyacinth ether
 ionones
2,4-ivy carbaldehyde
 juniper berry oil
 lavender absolute
 leaf acetal
 leafy oxime
 leerall
laevo-linalool
 linalool oxide
 lovage root oil
 melon heptenal
 melon nonenoate
3-mercapto-2-pentanone
 methional
2-methoxy-3-propyl pyrazine
 methyl 2-(methyl thio) acetate
 methyl dihydrojasmonate
 methyl heptine carbonate
 methyl ionones
 methyl octine carbonate
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
dextro,laevo-3-(methyl thio) butanone
 mimosa absolute
 muguet carboxaldehyde
 muguet octadienol
 musks
 myrtenyl isobutyrate
 narcissus absolute
 neryl acetate
(E,Z)-2,6-nonadien-1-al
(E,Z)-2,6-nonadien-1-ol
 nutty pyrazine
 oakmoss absolute
 ocean propanal
 orris pyridine
 patchouli ethanone
 pepper oil black
 phenethyl acetate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde dimethyl acetal
 phenyl acetic acid
3-phenyl propionaldehyde
3-phenyl propyl alcohol
 pineapple heptadienone 10%
 potato butanone
 potato butyraldehyde
 propyl 2,4-decadienoate
isopropyl 3-methyl thiocrotonate
isopropyl thioisovalerate
 propylene glycol acetone ketal
 raspberry ketone methyl ether
 rhubarb undecane
 rose oxides
 santall
 sorbyl isobutyrate
 spruce oil
 strawberry furanone
 styralyl acetate
alpha-terpineol
 tobacco dodecane
 tonka bean absolute
 tropical oxathiane
gamma-undecalactone
 undecanol
 verymoss
 vetiver oil
 violet dienyne
 violet methyl carbonate
 watermelon ketone
 woody acetate
 woody amylene
 woody propanol
(odor and/or flavor) used in :
 capsicum
 chocolate cocoa
 coffee
 galbanum
 grass
 green
 mushroom
 pea green pea
 pepper bell pepper
 potato
natural occurrence in :
asparagus
beet root
celery
coffee
krill
pea green pea
pumpkin
sherry



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