2,5-Diethylpyrazine

CAS

13238-84-1

Catalog Number

ACM13238841-1

Category

Main Products

Molecular Weight

136.19

Molecular Formula

C8H12N2

MSDS COA Spec Sheet

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Specification

Synonyms

Pyrazine, 2,5-diethyl-;
2,5-diethyl-pyrazine

Canonical SMILES

CCC1=CN=C(C=N1)CC

InChI

InChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3

InChI Key

WAVOLMBVDCRBGR-UHFFFAOYSA-N

Boiling Point

187-188 °C

Density

0.962±0.06 g/cm³

Exact Mass

136.100048391

Monoisotopic Mass

136.100048391

Storage Conditions

2-8 °C

Topological Polar Surface Area

25.8 Å²

GC-MS Identification Method for Alkylpyrazines Including 2,5-Diethylpyrazine

Xu, Sihang, et al. Journal of Chromatography A, 2019, 1589, 149-161.

Pyrazines are an important class of natural products widely used as food additives and flavorings. Gas chromatography-mass spectrometry (GC-MS) is a common analytical technique used to characterize alkylpyrazines. To identify alkylpyrazines, this work reports the gas chromatography retention index (RI) of 56 alkylpyrazines (including 2,5-Diethylpyrazine) for unambiguous identification of certain alkylpyrazines in combination with mass spectral interpretation.
GC-MS method
· All sample solutions were prepared by dissolving 1 mg of each pyrazine (e.g., 2,5-diethylpyrazine) in 1 mL of dichloromethane and diluting the mixture to 50 ppm. Pyrazine samples were introduced by split injection and analyses were conducted on three instruments.
· The GC-MS experimental process involved multiple setups employing different gas chromatographs and columns to analyze specific compounds. A comprehensive survey of the GC retention indices of DB-1, ZB-5MS, DB-624, and ZB-WAXplus stationary phases was conducted.
· The results show that 2,5-diethylpyrazine, 2,6-diethylpyrazine, and 2,3-diethylpyrazine are well separated on the ZBwaxplus coated GC column. These three compounds are not well separated on non-polar stationary phases such as DB-1. The RI value of 1085 for 2,5-diethylpyrazine was observed on the ZB-5MS.

What is the molecular formula of 2,5-Diethylpyrazine?

The molecular formula of 2,5-Diethylpyrazine is C8H12N2.

What is the molecular weight of 2,5-Diethylpyrazine?

The molecular weight of 2,5-Diethylpyrazine is 136.19 g/mol.

What is the IUPAC name of 2,5-Diethylpyrazine?

The IUPAC name of 2,5-Diethylpyrazine is 2,5-diethylpyrazine.

What is the InChI of 2,5-Diethylpyrazine?

The InChI of 2,5-Diethylpyrazine is InChI=1S/C8H12N2/c1-3-7-5-10-8(4-2)6-9-7/h5-6H,3-4H2,1-2H3.

What is the InChIKey of 2,5-Diethylpyrazine?

The InChIKey of 2,5-Diethylpyrazine is WAVOLMBVDCRBGR-UHFFFAOYSA-N.

What is the canonical SMILES of 2,5-Diethylpyrazine?

The canonical SMILES of 2,5-Diethylpyrazine is CCC1=CN=C(C=N1)CC.