2,3,5,6-tetramethyl pyrazine
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IUPAC name :2,3,5,6-tetramethylpyrazine
InChI :InChI=1/C8H12N2/c1-5-6(2)10-8(4)7(3)9-5/h1-4H3
InChIKey :FINHMKGKINIASC-UHFFFAOYAV
SMILES :CC1=C(N=C(C(=N1)C)C)C
cas number :1124-11-4
(EINECS) number :214-391-2
beilstein number :0113100
fema number :3237
coe number :734
jecfa number :780
fl. number :14.018
molar refractivity :41.73 ± 0.3 cm3
parachor :346.1 ± 4.0 cm3
index of refraction :1.503 ± 0.02
surface tension :36.3 ± 3.0 dyne/cm
density :0.966 ± 0.06 g/cm3
polarizability :16.54 ± 0.5 10-24cm3
XlogP : 1.30
molecular weight : 136.1942800 (IUPAC)
formula :C8 H12 N2
BioActivity Analysis :8139962
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2933.90
fda reg :unspecified
Suppliers :
Advanced Biotech :2,3,5,6-TETRA METHYL PYRAZINE
Advanced Biotech :tetra methyl pyrazine
98% min. natural
Odor:  Cocoa, Nutty
Apple :Tetramethyl pyrazine
Natural
Citrus and Allied Essences :2,3,5,6-Tetramethyl Pyrazine
FCC
Odor:  fermented soybean
Fleurchem :2,3,5,6-tetramethyl pyrazine
Fleurchem :tetramethyl pyrazine
natural
Fontarome :2, 3, 5, 6-TETRAMETHYLPYRAZINE
Odor:  Roast peanut, filbert, cocoa
Frutarom :2,3,5,6-TETRAMETHYLPYRAZINE
≥99.00%, NI, Kosher
Odor:  Chocolate, Musty, Roast, Sweet
Suggested Uses: Cheese, Chocolate, Coffee, Dairy Products, Meat, Shellfish, Tea
Frutarom :NATURAL TETRAMETHYLPYRAZINE
≥99.00%, natural, Kosher
Odor:  Chocolate, Musty, Roast, Sweet
Suggested Uses: Cheese, Chocolate, Coffee, Dairy Products, Meat, Shellfish, Tea
Hofmen :2,3,5,6-Tetramethylpyrazine
Moellhausen :2,3,5,6-tetramethyl pyrazine
98% min. nature identical kosher
Penta :2,3,5,6-tetramethyl pyrazine
natural
Penta :2,3,5,6-tetramethyl pyrazine
SAFC Global® :2,3,5,6-Tetramethylpyrazine
≥98%, Kosher, FG
Odor:  chocolate; musty; coffee
SAFC Global® :2,3,5,6-Tetramethylpyrazine
≥98%, natural, Kosher, FG
Odor:  chocolate; musty; coffee
Tokyo Chemical Industry :2,3,5,6-Tetramethylpyrazine
>98.0%(GC)(T)
Treatt :2,3,5,6-Tetramethylpyrazine
organoleptics :
odor type :nutty
odor strength :high ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in dipropylene glycol.  		musty nutty chocolate coffee cocoa soybean lard burnt
odor description:
Nutty, musty and vanilla with dry, brown cocoa nuances
Mosciano, Gerard P&F 22, No. 2, 69, (1997)
taste description:
at 150.00 ppm.  		Nutty, musty, cocoa, drying, peanut-like and raw coffee notes
Mosciano, Gerard P&F 22, No. 2, 69, (1997)
properties :
appearence :white crystals
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :Yes
melting point : 85.00 to 90.00 °C. @ 760.00 mm Hg
boiling point : 190.00 °C. @ 760.00 mm Hg
vapor pressure :0.16900 mm/Hg @ 25.00 °C.
vapor density :4.7 ( Air = 1 )
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 1.28
safety :
most important hazard(s) :Xn - Harmful.
  R 22 - Harmful if swallowed.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
R 41 - Risk of serious damage to eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
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) : 
  Gavage-Rat    1910.00  mg/kg
(Oser, 1969g)

intravenous-Mouse    239.00  mg/kg

Intraperitoneal-Mouse    0.80  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :cosmetic and flavor agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :6.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :19.00 (μg/capita/day)
 
recommendation for 2,3,5,6-tetramethyl pyrazine fragrance usage levels up to :
 not for fragrance use.
recommendation for 2,3,5,6-tetramethyl pyrazine flavor usage levels up to :
  150.0000 ppm in the flavor.
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
Cancer Citations :Search
Toxicology Citations :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
2,3,5,6-tetramethylpyrazine
(EINECS) number :214-391-2
RTECS :UQ3905000 for cas# 1124-11-4
chemidplus :001124114
EPA Substance Registry Services :1124-11-4
dtp/nci :46451
references :
 
2,3,5,6-tetramethylpyrazine
fl. number :14.018
jecfa number :780
NIST Chemistry WebBook :2346072466
pubchem :157583
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 tetramethyl pyrazine
2,3,5,6-tetramethyl pyrazine
2,3,5,6-tetramethylpyrazine
 tetrapyrazine
soluble in :
 alcohol
 fixed oils
 propylene glycol
 water, 7010 mg/L @ 25C
stability :
 alcoholic fine fragrance, good
 antiperspirant, good
 fabric softener, good
 hypochlorite bleach, poor
 liquid detergent, good
 perborate powder detergent, good
 soap, good
 toiletry application, good
potential blenders :    note
 acetyl acetaldehyde dimethyl acetalFL
2-acetyl pyrroleFL/FR
2-acetyl thiazoleFL/FR
3-acetyl-2,5-dimethyl furanFL/FR
 butyl laurateFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 cedrenyl acetateFR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cocoa hexenalFL/FR
 cyclohexyl methyl pyrazineFL
2,5-diethyl thiazoleFL
2,3-dimethyl pyrazineFL/FR
4,5-dimethyl-2-ethyl-3-thiazolineFL
2-ethyl pyrazineFL/FR
 filbert pyrazineFL
 hazelnut pyrazineFL/FR
1-hydroxy-2-butanoneFL/FR
 menthofuranFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methoxy-4-vinyl phenolFL/FR
2-methyl butyraldehydeFL
2-methyl pyrazineFL/FR
2-methyl thio-3,5 or 6-methyl pyrazineFL/FR
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 peanut dithiazineFL
2,3,5-trimethyl pyrazineFL
 vinyl sulfurolFL
potential uses :
 chocolate cocoa
 coffee
 galbanum
 guava
 lard
 nut filbert
 nut macadamia
 nut peanut
 soybean
 sugar brown sugar
 tea green tea
natural occurrence in :    note
 beef roasted beef  
 cheese cheddar cheese  
 cocoa products S
 coffee  
 dairy products  
 egg boiled egg  
 filbert  
 galbanum S
 guava S
 macadamia nut S
 meat  
 peanut  
 rum  
 shrimp  
 soy products  
 tea green tea  
 whiskey  

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