2-propyl pyrazine
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IUPAC name :2-propylpyrazine
InChI :InChI=1/C7H10N2/c1-2-3-7-6-8-4-5-9-7/h4-6H,2-3H2,1H3
InChIKey :DJLLTFRHLPVCEL-UHFFFAOYAZ
SMILES :CCCC1=NC=CN=C1
cas number :18138-03-9
(EINECS) number :242-023-0
fema number :3961
coe number :11362
jecfa number :763
fl. number :14.142
molar refractivity :36.61 ± 0.3 cm3
parachor :311.9 ± 4.0 cm3
index of refraction :1.496 ± 0.02
surface tension :38.5 ± 3.0 dyne/cm
density :0.975 ± 0.06 g/cm3
polarizability :14.51 ± 0.5 10-24cm3
XlogP : 1.10
molecular weight : 122.1677000
formula :C7 H10 N2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Givaudan :2-Propylpyrazine
≥98%, NI, Kosher
Odor:  Strong,Green,Nutty
Penta :2-propylpyrazine
Tokyo Chemical Industry :2-Propylpyrazine
>98.0%(GC)(T)

organoleptics :
odor type :green
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  
green vegetable nutty

properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96600 to 0.97000 @ 25.00 °C.
pounds per gallon - calc. : 8.038 to 8.071
refractive index :1.49200 to 1.49600 @ 20.00 °C.
boiling point : 65.00 °C. @ 12.00 mm Hg
boiling point : 176.00 to 177.00 °C. @ 760.00 mm Hg
flash point : 149.00  °F.  TCC  ( 65.00 °C. )
logP (o/w) : 1.24

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) :0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.10 (μg/capita/day)
 
recommendation for 2-propyl pyrazine 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
EPA Chem. Sub. Inventory : Yes
 
 
 
 2-propylpyrazine
(EINECS) number :242-023-0
chemidplus :018138039
EPA Substance Registry Services :18138-03-9

references :
 2-propylpyrazine
fl. number :14.142
jecfa number :763
NIST Chemistry WebBook :2866675110
pubchem :664297

other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 propyl pyrazine
2-N-propyl pyrazine
2-propyl-1,4-diazine
2-propylpyrazine

soluble in :
 alcohol
 water

stability :
 stable in most media

(odor and/or flavor) blends with :
2-acetyl-3-methyl pyrazine
2,5-diethyl-4-methyl thiazole
 dihydroxyacetophenone
2,3-dimethyl pyrazine
2-ethyl-4-methyl thiazole
2-ethyl-4,5-dimethyl oxazole
 grapefruit menthane
(E)-2-hepten-1-al
(Z)-4-hepten-1-al
(E)-4-hexen-1-al
4-hexen-1-ol
(Z)-3-hexen-1-yl (E)-crotonate
 methyl benzyl disulfide
2-methyl pyrazine
2-methyl thiazole
4-methyl thiazole
4-(methyl thio) butanol
3-(methyl thio) hexanol
3-(5-methyl-2-furyl) butanal
(Z)-6-nonen-1-ol
2,4-octadien-1-al
2-octen-1-ol
1-penten-3-ol
isopropyl pyrazine
isopropyl tiglate
2-isopropyl-3-(methyl thio) pyrazine
 propylene glycol acetone ketal
 shoyu pyrazine
3-tetrahydrothiophenone
 tropical thiazole

(odor and/or flavor) used in :
 bread
 chocolate cocoa
 cocoa
 coffee
 green
 nut
 nut peanut
 nut walnut
 vegetable

natural occurrence in :
bread
cocoa
coffee
filbert
peanut
walnut
wort



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