2-methyl-3-propyl pyrazine
 
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IUPAC name :2-methyl-3-propylpyrazine
InChI :InChI=1/C8H12N2/c1-3-4-8-7(2)9-5-6-10-8/h5-6H,3-4H2,1-2H3
InChIKey :XAWKNALRUSOTOY-UHFFFAOYAM
SMILES :CCCC1=NC=CN=C1C
(EINECS) number :240-121-8
cas number :15986-80-8
fl. number :14.129
molar refractivity :41.44 ± 0.3 cm3
parachor :349.5 ± 4.0 cm3
index of refraction :1.497 ± 0.02
surface tension :37.2 ± 3.0 dyne/cm
density :0.962 ± 0.06 g/cm3
polarizability :16.42 ± 0.5 10-24cm3
xlogp : 1.50
molecular weight : 136.1942800
formula :C8 H12 N2
 
 
export tariff code :2933.90.8000
fda reg :unspecified
 
Suppliers :
Sigma-Aldrich-SAFC :2-Methyl-3-propylpyrazine
 
Treatt :2-Methyl-3-propylpyrazine
Treatt USA :2-Methyl-3-propylpyrazine
 
 
organoleptics :
odor type :nutty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description :
at 0.10 % in dipropylene glycol.  		nutty
properties :
appearence :colorless to pale yellow clear liquid
assay : 98.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97800 - 0.98400 @ 25.00 °C.
pounds per gallon - calc. : 8.138 to 8.188
refractive index :1.49500 - 1.50100 @ 20.00 °C.
boiling point : 189.00 - 190.00 °C. @ 763.00 mm Hg
logp : 1.70
safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.011 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :400 (μg/person/day)
Threshold of concern :540 (μg/person/day)
  
flash point ( Deg. F. ) : 156.00  °F.  TCC  ( 68.89 °C. )
  
recommendation for 2-methyl-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) : 2.0000010.00000
Meat and meat products, including poultry and game (08.0) : 0.200001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 0.200001.00000
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 :
(EINECS) number :240-121-8
chemidplus :015986808
epa-srs :15986-80-8
  
other :
 
references :
fl. number :14.129
pubchem :662085
NIST Chemistry WebBook :2773702473
  
synonyms :
2-methyl-3-propyl pyrazine
 peanut pyrazine
3-propyl-2-methyl pyrazine
soluble in :
 alcohol
 water, 3960 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetyl acetaldehyde dimethyl acetal
 acetyl propionyl
2-acetyl pyrazine
3-acetyl pyridine
2-acetyl pyrrole
 acetyl pyrroline
2-acetyl thiazole
2-acetyl-2-thiazoline
5-acetyl-2,3-dihydro-1,4-thiazine
3-acetyl-2,5-dimethyl furan
2-acetyl-3-ethyl pyrazine
2-acetyl-3-methyl pyrazine
2-acetyl-3,5-dimethyl pyrazine
2-acetyl-5-methyl furan
 aconitic acid
 allyl 2-ethyl butyrate
isoamyl nonanoate
alpha-angelica lactone
 benzothiazole
 bornyl isobutyrate
 boronia butenal
 butyramide
 butyroin
 chocolate pyrazine A
 chocolate pyrazine B
 cocoa pyrazine
3,6-cocoa pyrazine
 coconut absolute
 coffee furanone
 coumane
 coumarin
para-cresyl laurate
 cyclohexyl methyl pyrazine
(E,E)-2,4-decadien-1-al
2,5-diethyl thiazole
3,5-diethyl-2-methyl pyrazine
2,5-diethyl-3-methyl pyrazine
2,5-diethyl-4-methyl thiazole
 difurfuryl ether
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazine
 dihydroxyacetophenone
 dimethyl dihydrocyclopentapyrazine
2,3-dimethyl pyrazine
2,5-dimethyl pyrazine
2,6-dimethyl pyridine
2,5-dimethyl thiazole
4,5-dimethyl thiazole
2,5-dimethyl thiophene
4,5-dimethyl-2-ethyl-3-thiazoline
2,4-dimethyl-5-vinyl thiazole
2-ethoxythiazole
 ethyl 2-hydroxy-2-methyl butyrate
2-ethyl pyrazine
1-ethyl-2-acetyl pyrrole
5-ethyl-2-methyl pyridine
2-ethyl-3-methoxypyrazine
2-ethyl-4-methyl thiazole
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazoline
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazoline
 filbert heptenone
 filbert pyrazine
 furfuryl thioacetate
3-(2-furyl) acrolein
 hazelnut pyrazine
(E,E)-2,4-heptadien-1-ol
gamma-heptalactone
2-heptyl furan
2,4-hexadien-1-ol
3,4-hexane dione
2-hexyl-5 or 6-keto-1,4-dioxane
4-hydroxybenzoic acid
 maraniol
 menthofuran
2-methoxypyrazine
 methyl 2-(methyl thio) acetate
2'-methyl acetophenone
2-methyl anisole
para-methyl anisole
2-methyl butyraldehyde
2-methyl pyrazine
2-methyl quinoxaline
5-methyl quinoxaline
4-methyl thiazole
2-methyl thio-3,5 or 6-methyl pyrazine
2-(methyl thio) acetaldehyde
 methyl valerate
3-methyl-2-buten-1-al
2-methyl-3-(methyl thio) pyrazine
2-methyl-3,(5 or 6)-ethoxypyrazine
2-methyl-5-isopropyl pyrazine
(E,E)-2,4-nonadien-1-al
(E,Z)-2,6-nonadien-1-yl acetate
 nutty cyclohexenone
 nutty quinoxaline
 nutty thiazole
 peanut dithiazine
 peanut oxazole
 popcorn pyrimidine
 propionaldehyde
2-propionyl thiazole
2-propionyl-2-thiazoline
 propyl benzoate
isopropyl pyrazine
2-propyl pyridine
 pyrrole
 saffron pyranone
 sandalwood oil
 shoyu pyrazine
 sulfuryl butyrate
 sulfuryl decanoate
 sulfuryl formate
 sulfuryl hexanoate
 sulfuryl isobutyrate
 sulfuryl octanoate
 sulfuryl propionate
2,3,5,6-tetramethyl pyrazine
 thiazole
(E)-tiglic aldehyde
 tobacco butenal
 tonka bean absolute
 tonka bean resinoid
2,4,5-trimethyl oxazole
2,3,5-trimethyl pyrazine
 tropical thiazole
 valeraldehyde
 valeraldehyde dibutyl acetal
 valeraldehyde propylene glycol acetal
2-vinyl pyrazine
 vinyl sulfurol
 whiskey lactone
(odor and/or flavor) used in :
 beef
 nut
 nut peanut
natural occurrence in :
beef
peanut



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