2-methoxy-3-propyl pyrazine
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IUPAC name :2-methoxy-3-propylpyrazine
InChI :InChI=1/C8H12N2O/c1-3-4-7-8(11-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKey :WPWBOFKCKQCZIS-UHFFFAOYAD
SMILES :CCCC1=NC=CN=C1OC
cas number :25680-57-3
fl. number :14.127
molar refractivity :43.29 ± 0.3 cm3
parachor :368.6 ± 4.0 cm3
index of refraction :1.492 ± 0.02
surface tension :37.2 ± 3.0 dyne/cm
density :1.019 ± 0.06 g/cm3
polarizability :17.16 ± 0.5 10-24cm3
XlogP : 1.80
molecular weight : 152.1936800 (IUPAC)
formula :C8 H12 N2 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
organoleptics :
odor type :earthy
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in dipropylene glycol.  		earthy bell pepper raw potato galbanum
properties :
Food Chemicals Codex Listed :No
flash point :not determined
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.061 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :270 (μg/person/day)
Threshold of concern :540 (μg/person/day)
 
recommendation for 2-methoxy-3-propyl pyrazine fragrance usage levels up to :
 not for fragrance use.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 0.100000.50000
Edible ices, including sherbet and sorbet (03.0) : 0.400002.00000
Processed fruit (04.1) : 0.400002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 1.000005.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 0.200001.00000
Bakery wares (07.0) : 1.000005.00000
Meat and meat products, including poultry and game (08.0) : 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.100000.40000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0) : 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 1.000005.00000
Ready-to-eat savouries (15.0) : 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 0.200001.00000
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
 
 
 
 
2-methoxy-3-propylpyrazine
chemidplus :25680-57-3
EPA Substance Registry Services :25680-57-3
references :
 
2-methoxy-3-propylpyrazine
fl. number :14.127
NIST Chemistry WebBook :25680573
pubchem :10497863
other :
synonyms :
2-methoxy-3-propylpyrazine
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
potential blenders :    note
2-acetyl-3-ethyl pyrazineFL
 allyl amyl glycolateFR
 amyl formateFL/FR
 benzyl disulfideFL
 bornyl formateFL/FR
S-sec-butyl thioisovalerateFL
2-isobutyl-3-methoxypyrazineFL/FR
2-sec-butyl-3-methoxypyrazineFL/FR
 cocoa hexenalFL/FR
3,6-cocoa pyrazineFL
 cortex pyridineFL/FR
 cotinus coggygria oil 
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-6-methyl pyrazineFL
 fern absolute 
 galbanum decatrieneFL/FR
 galbanum ketoneFR
 galbanum oleoresinFL
 galbanum oxathianeFL/FR
 galbanum oxyacetateFR
 galbanum resinoidFR
 geranium absoluteFL/FR
 green pea pyrazineFL
delta-heptalactoneFL/FR
2-heptyl cyclopentanoneFR
(Z)-3-hexen-1-yl tiglateFL/FR
6-hydroxydihydrotheaspirane (mixture of isomers)FL/FR
 leafy oximeFR
 linalool oxideFL/FR
3-mercapto-2-pentanoneFL
 methionalFL
 methyl 2-(methyl thio) acetateFL
2-(methyl thio) acetaldehydeFL
4-(methyl thio) butanolFL
dextro,laevo-3-(methyl thio) butanoneFL
(E,Z)-3,6-nonadien-1-olFL/FR
1-nonen-3-olFL/FR
 nutty pyrazineFL/FR
1-octen-3-olFL/FR
 octyl acetateFL/FR
 octyl isobutyrateFL/FR
2-pentyl furanFL/FR
2-phenyl propyl acetateFL/FR
1-phenyl-2-pentanolFL/FR
 pineapple heptadienone 10%FR
 potato butanoneFL
 potato butyraldehydeFL
isopropyl 3-methyl thiocrotonateFL/FR
isopropyl thioisovalerateFL
 propylene glycol acetone ketalFL
 rhubarb undecaneFR
 shoyu pyrazineFL/FR
 sorbyl isobutyrateFL/FR
(E)-2-tetradecen-1-alFL/FR
 tropical oxathianeFL/FR
 tropical trithianeFL/FR
 violet dienyneFR
potential uses :
 earth humus
 galbanum
 pepper bell pepper
 potato
natural occurrence in :    note
 not found in nature  

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