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Home > Encyclopedia > 2-(Methylthio)pyrazine

2-(Methylthio)pyrazine

2-(Methylthio)pyrazine structure

2-(Methylthio)pyrazine 

structure
  • CAS No:

    21948-70-9

  • Formula:

    C5H6N2S

  • Chemical Name:

    2-(Methylthio)pyrazine

  • Synonyms:

    Pyrazine,2-(methylthio)-;Pyrazine,(methylthio)-;2-(Methylthio)pyrazine;2-Methylmercaptopyrazine;Methyl pyrazinyl sulfide;(Methylthio)pyrazine;Pyrazinyl methyl sulfide;2-Methylsulfanylpyrazine;2-(Methylsulfanyl)pyrazine

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

White solid Pyrazinyl methyl sulfide has an ethereal sulfureous odor


Solid|low melting white crystalline solid with an ethereal sulfurous odour


2-(Methylthio)pyrazine is an aryl sulfide.

2-(Methylthio)pyrazine Basic Attributes

126.18

126.18

878423

244-675-1

R1C97E3A4F

DTXSID1047491

2933990090

Characteristics

51.1

1.2

1.2±0.1 g/cm3

45-47.5 °C @ Solvent: Ligroine

221.2°C at 760 mmHg

87.6±21.8 °C

1.575

9533 mg/L @ 25 °C (est)|soluble in water, organic solvents, oils|very soluble (in ethanol)

0.161mmHg at 25°C

Safety Information

NONH for all modes of transport

3

22-37/38-41

22-24/25-39-26

Xn

P261-P280-P305 + P351 + P338

H302-H315-H318-H335

|Danger|H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 132 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-(Methylthio)pyrazine Use and Manufacturing

Methods of Manufacturing

Preparation of Compound 215Step A - Synthesis of 2-BenzylpyrazineTo a solution of 2-methylsulfanyl-pyrazine (1.26 g, 10 mmol) in 15 mL THF was added benzylzinc bromide (0.5M in THF, 40 mL, 20 mmol) followed by Pd(Ph3P)4 (1.16 g, 1 mmol). The resulting reaction was heated to 60 C and allowed to stir at this temperature for 2 hours, after which time the reaction mixture was cooled to room temperature, diluted with ethyl acetate and washed with saturated sodium bicarbonate solution. The organic fraction was dried (sodium sulfate), filtered, and concentrated in vacuo to provide a crude residue which was purified using flash column chromatography (15% ethyl acetate in hexane) to provide 2- benzylpyrazine (0.76 g, 45% yield).

Uses

For daily use, food flavor

Pyrazine, 2-(methylthio)-: ACTIVE

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents

Computed Properties

Molecular Weight:126.18
XLogP3:1.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:126.02516937
Monoisotopic Mass:126.02516937
Topological Polar Surface Area:51.1
Heavy Atom Count:8
Complexity:67.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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