2,3-Diethyl-5-methylpyrazine

Basic Information

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CAS Number

18138-04-0

Molecular Formula

C9H14N2

Molecular Weight

150.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Boiling Point

80°C/12mmHg

Refractive Index

n20/D 1.498(lit.)

SMILES

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CCc1c(nc(cn1)C)CC

InChI

InChI=1S/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3

InChIKey

PSINWXIDJYEXLO-UHFFFAOYSA-N

LogP

1.90982

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

114

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 3 Class 3

Synonyms & References

English

2,3-Diethyl-5-methylpyrazine
2,3-Diethyl-5-methyl-pyrazin
2,3-Diethyl-5-methyl-pyrazine
2-Methyl-5,6-diethylpyrazine
5,6-Diathyl-2-methylpyrazin
Pyrazine,2,3-diethyl-5-methyl
2,3-Diethyl-6-methylpyrazine
5-Methyl-2,3-diethylpyrazine
Pyrazine, 2,3-diethyl-5-methyl-
530763R0AP
AK114246
MLS000515960
FEMA No. 3336
hazelnut pyrazine
PubChem8621
KSC491G2H
Jsp003717
FEMA 3336
PSINWXIDJYEXLO-UHFFFAOYSA-
PSINWXIDJYEXLO-UHFFFAOYSA-N
HMS2269E08

MDL Number

MFCD00009635

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2,3-Diethyl-5-methylpyrazine (CAS: 18138-04-0)?

2,3-Diethyl-5-methylpyrazine (CAS: 18138-04-0) is a crystalline compound with a molecular weight of approximately 152.21 g/mol. It has a solubility of about 2.8 g/L in water and is soluble in common organic solvents like ethanol and acetone. This compound is relatively stable but can react with strong oxidizing agents. It has a characteristic aroma and is used in the flavoring industry.

How is 2,3-Diethyl-5-methylpyrazine (CAS: 18138-04-0) typically synthesized?

2,3-Diethyl-5-methylpyrazine (CAS: 18138-04-0) is typically synthesized via the reaction of methylpyrazine with ethylmagnesium bromide followed by hydrolysis. This method provides good selectivity and moderate yield. Other routes involve the condensation of pyrazine with appropriate aldehydes or ketones in the presence of a suitable catalyst.

What industries use 2,3-Diethyl-5-methylpyrazine (CAS: 18138-04-0)?

2,3-Diethyl-5-methylpyrazine (CAS: 18138-04-0) is primarily used in the food and beverage industry as a flavor enhancer. It is also utilized in the perfume and fragrance industry, and can be found in certain tobacco products. Additionally, it has applications in the pharmaceutical sector for the synthesis of certain compounds.

What precautions should be taken when handling 2,3-Diethyl-5-methylpyrazine (CAS: 18138-04-0)?

When handling 2,3-Diethyl-5-methylpyrazine (CAS: 18138-04-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be immediately cleaned up using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.