21948-70-9

Name 2-(Methylthio)pyrazine
CAS 21948-70-9
EINECS(EC#) 244-675-1
Molecular Formula C5H6N2S
MDL Number MFCD00041024
Molecular Weight 126.18
MOL File 21948-70-9.mol
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Chemical Properties

Melting point  44 °C
Boiling point  221.2±20.0 °C(Predicted)
density  1.19±0.1 g/cm3(Predicted)
FEMA  3231
storage temp.  Sealed in dry,Room Temperature
solubility  soluble in Methanol
form  solid
pka 0.10±0.10(Predicted)
color  White to Orange to Green
Odor nutty, sweet, meaty, slightly green flavor
biological source synthetic
Odor Type sulfurous
JECFA Number 796
BRN  878423
Major Application flavors and fragrances
InChI 1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey KBPBOWBQRUXMFV-UHFFFAOYSA-N
SMILES CSC1=CN=CC=N1
LogP 1.26
CAS DataBase Reference 21948-70-9(CAS DataBase Reference)
NIST Chemistry Reference Pyrazine, (methylthio)-(21948-70-9)
EPA Substance Registry System Pyrazine, (methylthio)- (21948-70-9)
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Safety Data

Hazard Codes  Xn
Risk Statements 
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S39:Wear eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
TSCA  Yes
HS Code  29339900
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
STOT SE 3

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