3-Ethyl-2,5-dimethylpyrazine - ≥97% , CAS No.13360-65-1

CAS: 13360-65-1 Cat. No.: E693835 Molecular Weight: 136.19 EC Number: 236-417-1 PubChem CID: 25916

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCC1=NC(=CN=C1C)C
• IUPAC Name: 3-ethyl-2,5-dimethylpyrazine
• InChIKey: WHMWOHBXYIZFPF-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2/c1-4-8-7(3)9-5-6(2)10-8/h5H,4H2,1-3H3
• Isomeric SMILES: CCC1=NC(=CN=C1C)C
• PubChem CID: 25916
• Molecular Weight: 136.19

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: 136.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.1 Da
• Monoisotopic Mass: 136.1 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 103.000
• 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

1. Yujie Wang, Guojian Deng, Lunfang Huang, Jingming Ning.  (2024)  Sensory-directed flavor analysis reveals the improvement in aroma quality of summer green tea by osmanthus scenting.  Food Chemistry-X,      [PMID:39007121] [10.1016/j.fochx.2024.101571]

2. Weiming Hua, Huan Liu, Qichao Fei, Jincheng Wu, Xiangru Wei, Matta Ebaid, Runmi Tao, Dengyong Liu, Shengmei Gai.  (2025)  Formation of volatile compounds in mutton during air fryer roasted mutton by means of GC–MS and GC-IMS.  FOOD RESEARCH INTERNATIONAL,      [PMID:40356175] [10.1016/j.foodres.2025.116404]

3. Jinhao Zou, Xuping Wang, Jingrong Cheng, Xueming Liu, Yantian Tang, Anping Li, Daobang Tang.  (2026)  Elucidating key aroma compounds of braised squab and providing insights into their potential precursor.  FOOD CHEMISTRY,      [PMID:] [10.1016/j.foodchem.2026.149613]