2-Ethyl-5-methylpyrazine - ≥98%, mixture of 2-Ethyl-5-methylpyrazine and 2-ethyl-6-methylpyrazine , CAS No.13360-64-0

CAS: 13360-64-0 Cat. No.: E302421 Molecular Weight: 122.17 EC Number: 236-416-6

GRADE & PURITY ≥98%, mixture of 2-Ethyl-5-methylpyrazine and 2-ethyl-6-methylpyrazine

Synonyms

2-ETHYL-5-METHYLPYRAZINE|13360-64-0|Pyrazine, 2-ethyl-5-methyl-|2-Methyl-5-ethylpyrazine|5-ethyl-2-methylpyrazine|2-Ethyl-5-methyl pyrazine|FEMA No. 3154|2,5-Methylethylpyrazine|2-Ethyl-5-methylpyrazine, 9CI, 8CI|Pyrazine, 5-ethyl-2-methyl|W41R8X574D|2-Et

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-ETHYL-5-METHYLPYRAZINE | 13360-64-0 | Pyrazine, 2-ethyl-5-methyl- | 2-Methyl-5-ethylpyrazine | 5-ethyl-2-methylpyrazine | 2-Ethyl-5-methyl pyrazine | FEMA No. 3154 | 2, 5-Methylethylpyrazine | 2-Ethyl-5-methylpyrazine, 9CI, 8CI | Pyrazine, 5-ethyl-2-methyl | W41R8X574D | 2-Et

Specifications & Purity

≥98%, mixture of 2-Ethyl-5-methylpyrazine and 2-ethyl-6-methylpyrazine

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182987
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182987
• Canonical Smiles: CCC1=NC=C(N=C1)C
• IUPAC Name: 2-ethyl-5-methylpyrazine
• InChIKey: OXCKCFJIKRGXMM-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
• Isomeric SMILES: CCC1=NC=C(N=C1)C
• Molecular Weight: 122.17
• Reaxy-Rn: 956719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazines. These are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 122.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.084 Da
• Monoisotopic Mass: 122.084 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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5. Jiawei Du, Yang Zhang, Zhenzhen Ning, Sha Jiang, Jiahuan Liu, Xingting Ni, Qiang Li, Qiang Yang.  (2025)  Comparative Analysis of Pyrazine Compounds in Soy Sauce Aroma Baijiu from Different Regions and Their Impact on Flavor Profiles.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.108447]

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