2-methyl-3-(methyl thio) pyrazine
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IUPAC name :2-methyl-3-methylsulfanylpyrazine
InChI :InChI=1/C6H8N2S/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
InChIKey :PPPFFGVGWFKTHX-UHFFFAOYAP
SMILES :CC1=NC=CN=C1SC
cas number :2882-20-4
(EINECS) number :220-736-8
fema number :3208
coe number :2290
fl. number :14.128
molar refractivity :39.61 ± 0.4 cm3
parachor :325.4 ± 6.0 cm3
index of refraction :1.562 ± 0.03
surface tension :50.4 ± 5.0 dyne/cm
density :1.14 ± 0.1 g/cm3
polarizability :15.70 ± 0.5 10-24cm3
XlogP : 1.10
molecular weight : 140.2061200 (IUPAC)
formula :C6 H8 N2 S
BioActivity Analysis :130930
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Fleurchem :2-methyl 3-methyl thio pyrazine
Penta :2-methylthio-3-methyl pyrazine
Sigma-Aldrich-Aldrich :2-Methyl-3-(methylthio)pyrazine
80%
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Tokyo Chemical Industry :2-Methylmercapto-3-methylpyrazine
>99.0%(GC) [for Perfumery]
organoleptics :
odor type :meaty
odor strength :high ,
recommend smelling in a 0.10 % solution or less
odor description:
at 0.10 % in propylene glycol.  		roasted meat nutty almond vegetable
properties :
assay : 99.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :1.13300 to 1.15300 @ 25.00 °C.
pounds per gallon - calc. : 9.428 to 9.594
refractive index :1.57000 to 1.59000 @ 20.00 °C.
boiling point : 85.00 to 87.00 °C. @ 10.00 mm Hg
boiling point : 213.00 to 214.00 °C. @ 760.00 mm Hg
vapor pressure :0.06800 mm/Hg @ 25.00 °C.
flash point : 210.00  °F.  TCC  ( 98.89 °C. )
logP (o/w) : 1.81
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
 
recommendation for 2-methyl-3-(methyl thio) pyrazine fragrance usage levels up to :
  0.0200 % in the fragrance concentrate.
safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
2-methyl-3-methylsulfanylpyrazine
(EINECS) number :220-736-8
chemidplus :002882204
EPA Substance Registry Services :2882-20-4
dtp/nci :222757
references :
 
2-methyl-3-methylsulfanylpyrazine
fl. number :14.128
NIST Chemistry WebBook :2323509234
pubchem :218365
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
2-methyl mercapto-3-methyl pyrazine
3-methyl-2-methyl thiopyrazine
2-methyl thio-3-methyl pyrazine
2-(methyl thio)-3-methyl pyrazine
2-methyl-3-(methyl thio) pyrazine
2-methyl-3-(methylthio) pyrazine
2-methyl-3-methyl mercaptopyrazine
2-methyl-3-methyl sulfanyl pyrazine
2-methyl-3-methylsulfanylpyrazine
2-methylthio-3-methyl pyrazine
2-(methylthio)-3-methyl pyrazine
soluble in :
 alcohol
 water, 2380 mg/L @ 25C
insoluble in :
 water
potential blenders :    note
2-acetyl pyrazineFL/FR
2-acetyl pyridineFL/FR
3-acetyl pyridineFL/FR
 acetyl pyrrolineFL
2-acetyl thiazoleFL/FR
2-acetyl-3-ethyl pyrazineFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2-acetyl-5-methyl pyrazineFL
2-acetyl-6-methyl pyrazineFL
(E)-aconitic acidFL
 butyl laurateFL/FR
2-isobutyl-3,(5 and 6)-dimethyl pyrazineFL/FR
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 butyrophenoneFL/FR
 cedrenyl acetateFR
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
 cocoa hexenalFL/FR
 cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL
 coconut naphthalenoneFL/FR
2,5-diethyl-3-methyl pyrazineFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
2,5-dihydroxy-1,4-dithianeFL
 dimethyl dihydrocyclopentapyrazineFL
2,3-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2,5-dimethyl thiazoleFL
4,5-dimethyl thiazoleFL
4,5-dimethyl-2-ethyl thiazoleFL
2-ethoxythiazoleFL
 ethyl dimethyl pyrazineFL
2-ethyl pyrazineFL/FR
 filbert heptenoneFL/FR
 filbert pyrazineFL
 furfuryl thioacetateFL
 hazelnut notes 
 hazelnut oleoresinFL
 hazelnut pyrazineFL/FR
2-heptyl furanFL
3,4-hexane dioneFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methoxy-4-vinyl phenolFL/FR
 methyl 2-(methyl thio) acetateFL
2-methyl pyrazineFL/FR
2-methyl quinoxalineFL
5-methyl quinoxalineFL/FR
2-methyl-3-pentenoic acidFL/FR
2-methyl-3,(5 or 6)-ethoxypyrazineFL
 nonyl isovalerateFL/FR
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 peanut dithiazineFL
 popcorn pyrimidineFL/FR
2-propionyl pyrroleFL
2-propionyl thiazoleFL
2-propionyl-2-thiazolineFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl formateFL
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
2,3,5-trimethyl pyrazineFL/FR
2,4,5-trimethyl thiazoleFL/FR
 whiskey lactoneFL/FR
potential uses :
 meat
natural occurrence in :    note
 found in nature  

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