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
cas number :15986-80-8
(EINECS) number :240-121-8
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 (IUPAC)
formula :C8 H12 N2
NMR Predictor :Predict
 
 
export tariff code :2933.90.8000
fda reg :unspecified
Suppliers :
Endeavour :2-Methyl-3-propylpyrazine
99%
Penta :2-methyl-3-propylpyrazine
SAFC Global® :2-Methyl-3-propylpyrazine
Tokyo Chemical Industry :2-Methyl-3-propylpyrazine
>95.0%(GC)
Treatt :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 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.97800 to 0.98400 @ 25.00 °C.
pounds per gallon - calc. : 8.138 to 8.188
refractive index :1.49500 to 1.50100 @ 20.00 °C.
boiling point : 189.00 to 190.00 °C. @ 763.00 mm Hg
vapor pressure :0.19200 mm/Hg @ 25.00 °C.
flash point : 156.00  °F.  TCC  ( 68.89 °C. )
logP (o/w) : 1.70
safety :
most important hazard(s) :Xi - Irritant
  R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
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)
 
recommendation for 2-methyl-3-propyl pyrazine fragrance usage levels up to :
  0.1000 % in the fragrance concentrate.
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 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 (EFSA, 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) : 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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
2-methyl-3-propylpyrazine
(EINECS) number :240-121-8
chemidplus :015986808
EPA Substance Registry Services :15986-80-8
references :
 
2-methyl-3-propylpyrazine
fl. number :14.129
NIST Chemistry WebBook :2773702473
pubchem :662085
other :
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-methyl-3-propylpyrazine
 peanut pyrazine
3-propyl-2-methyl pyrazine
soluble in :
 alcohol
 water, 3960 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
 acetyl acetaldehyde dimethyl acetalFL
 acetyl propionylFL/FR
2-acetyl pyrazineFL/FR
3-acetyl pyridineFL/FR
2-acetyl pyrroleFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-2-thiazolineFL
5-acetyl-2,3-dihydro-1,4-thiazineFL
3-acetyl-2,5-dimethyl furanFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-5-methyl furanFL/FR
 aconitic acidFL
 allyl 2-ethyl butyrateFL
isoamyl nonanoateFL/FR
alpha-angelica lactoneFL/FR
 benzothiazoleFL
 bornyl isobutyrateFL/FR
 boronia butenalFR
 butyramideFL
 butyroinFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 coconut absoluteFL/FR
 coffee furanoneFL
 coumaneFL/FR
 coumarinFR
para-cresyl laurateFL/FR
 cyclohexyl methyl pyrazineFL
(E,E)-2,4-decadien-1-alFL
2,5-diethyl thiazoleFL
3,5-diethyl-2-methyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2,5-diethyl-4-methyl thiazoleFL
 difurfuryl etherFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dihydroxyacetophenoneFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,6-dimethyl pyridineFL
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
2,5-dimethyl thiopheneFL
4,5-dimethyl-2-ethyl-3-thiazolineFL
2,4-dimethyl-5-vinyl thiazoleFL
2-ethoxythiazoleFL
 ethyl 2-hydroxy-2-methyl butyrateFL/FR
2-ethyl pyrazineFL/FR
1-ethyl-2-acetyl pyrroleFL
5-ethyl-2-methyl pyridineFL
2-ethyl-3-methoxypyrazineFL/FR
2-ethyl-4-methyl thiazoleFL/FR
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuryl thioacetateFL
3-(2-furyl) acroleinFL
 hazelnut pyrazineFL/FR
(E,E)-2,4-heptadien-1-olFL
gamma-heptalactoneFL/FR
2-heptyl furanFL
2,4-hexadien-1-olFL
3,4-hexane dioneFL/FR
2-hexyl-5 or 6-keto-1,4-dioxaneFL
4-hydroxybenzoic acidFL
 maraniolCS
 menthofuranFL/FR
2-methoxypyrazineFL/FR
 methyl 2-(methyl thio) acetateFL
2'-methyl acetophenoneFL/FR
2-methyl anisoleFL/FR
para-methyl anisoleFL/FR
2-methyl butyraldehydeFL
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
4-methyl thiazoleFL
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
2-(methyl thio) acetaldehydeFL
 methyl valerateFL/FR
3-methyl-2-buten-1-alFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
2-methyl-5-isopropyl pyrazineFL
(E,E)-2,4-nonadien-1-alFL
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 nutty cyclohexenoneFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
 peanut dithiazineFL
 peanut oxazoleFL
 popcorn pyrimidineFL/FR
 propionaldehydeFL
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 propyl benzoateFL/FR
isopropyl pyrazineFL
2-propyl pyridineFL
 pyrroleFL
 saffron pyranoneFR
 sandalwood oilFL/FR
 shoyu pyrazineFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5,6-tetramethyl pyrazineFL
 thiazoleFL
(E)-tiglic aldehydeFL/FR
 tobacco butenalFR
 tonka bean absoluteFR
 tonka bean resinoidFR
2,4,5-trimethyl oxazoleFL
2,3,5-trimethyl pyrazineFL
 tropical thiazoleFL/FR
 valeraldehydeFL/FR
 valeraldehyde dibutyl acetalFL/FR
 valeraldehyde propylene glycol acetalFL/FR
2-vinyl pyrazineFL
 vinyl sulfurolFL
 whiskey lactoneFL/FR
potential uses :
 beef
 nut
 nut peanut
natural occurrence in :    note
 beef  
 peanut  

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