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
formula :C8 H12 N2 O
 
 
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 :
appearence :pale yellow to yellow solid
assay : 95.00 - 100.00 %   
Food Chemicals Codex Listed :No
melting point : 110.00 - 111.00 °C. @ 760.00 mm Hg
boiling point : 270.00 - 271.00 °C. @ 760.00 mm Hg
logp : 2.28

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
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)
  
flash point ( Deg. F. ) : 157.00  °F.  TCC  ( 69.44 °C. )
  
recommendation for 2-methoxy-3-propyl pyrazine 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.
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 links :
chemidplus :25680-57-3
epa-srs :25680-57-3
  

other :
 

references :
fl. number :14.127
pubchem :10497863
  
synonyms :
2-methoxy-3-propyl pyrazine
2-methoxy-3-propylpyrazine
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
2-acetyl-3-ethyl pyrazine
 allyl amyl glycolate
 amyl formate
 benzyl disulfide
 bornyl formate
S-sec-butyl thioisovalerate
2-isobutyl-3-methoxypyrazine
2-sec-butyl-3-methoxypyrazine
 cocoa hexenal
3,6-cocoa pyrazine
 cortex pyridine
 cotinus coggygria oil
5-ethyl-2-methyl pyridine
2-ethyl-3-methoxypyrazine
2-ethyl-6-methyl pyrazine
 fern absolute
 galbanum decatriene
 galbanum ketone
 galbanum oleoresin
 galbanum oxathiane
 galbanum oxyacetate
 galbanum resinoid
 geranium absolute
 green pea pyrazine
delta-heptalactone
2-heptyl cyclopentanone
(Z)-3-hexen-1-yl tiglate
6-hydroxydihydrotheaspirane (mixture of isomers)
 leafy oxime
 linalool oxide
3-mercapto-2-pentanone
 methional
 methyl 2-(methyl thio) acetate
2-(methyl thio) acetaldehyde
4-(methyl thio) butanol
dextro,laevo-3-(methyl thio) butanone
(E,Z)-3,6-nonadien-1-ol
1-nonen-3-ol
 nutty pyrazine
1-octen-3-ol
 octyl acetate
 octyl isobutyrate
2-pentyl furan
2-phenyl propyl acetate
1-phenyl-2-pentanol
 pineapple heptadienone 10%
 potato butanone
 potato butyraldehyde
isopropyl 3-methyl thiocrotonate
isopropyl thioisovalerate
 propylene glycol acetone ketal
 rhubarb undecane
 shoyu pyrazine
 sorbyl isobutyrate
(E)-2-tetradecen-1-al
 tropical oxathiane
 tropical trithiane
 violet dienyne
(odor and/or flavor) used in :
 earth humus
 galbanum
 pepper bell pepper
 potato
natural occurrence in :
not found in nature



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