2,3-Diethylpyrazine - ≥98%(GC) , CAS No.15707-24-1

CAS: 15707-24-1 Cat. No.: D154790 Formula: C₈H₁₂N₂ Molecular Weight: 136.2 EC Number: 239-800-1

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS015838584 | D1581 | CHEBI:166525 | FEMA No. 3136 | 2,3-Diethylpyrazine, 98% | DTXCID4027101 | FT-0609601 | CAS-15707-24-1 | AC-16406 | 2,3-DIETHYLPYRAZINE [FHFI] | UNII-AD31A42VY0 | EINECS 239-800-1 | DTXSID6047101 | MFCD00006151 | FEMA 3136 | 2,3-Die

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

2,3-Diethylpyrazine is naturally present in tobacco and has been added to tobacco as flavor ingredients. Interaction of 2,3-diethylpyrazine (a volatile flavor compound) with propyl gallate has been investigated.

Specifications

Synonyms

AKOS015838584 | D1581 | CHEBI:166525 | FEMA No. 3136 | 2,3-Diethylpyrazine, 98% | DTXCID4027101 | FT-0609601 | CAS-15707-24-1 | AC-16406 | 2,3-DIETHYLPYRAZINE [FHFI] | UNII-AD31A42VY0 | EINECS 239-800-1 | DTXSID6047101 | MFCD00006151 | FEMA 3136 | 2,3-Die

Specifications & Purity

≥98%(GC)

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504753358
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753358
• Canonical Smiles: CCC1=NC=CN=C1CC
• IUPAC Name: 2,3-diethylpyrazine
• InChIKey: GZXXANJCCWGCSV-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2/c1-3-7-8(4-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
• Isomeric SMILES: CCC1=NC=CN=C1CC
• WGK Germany: 3
• Molecular Weight: 136.2
• Reaxy-Rn: 956884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956884&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

• Sensitivity: Hygroscopic
• Refractive Index: 1.5
• Flash Point(°F): 160°F
• Flash Point(°C): 71℃
• Boil Point(°C): 180-182°C
• Molecular Weight: 136.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• 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: 81.300
• 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. Shibin Deng, Heping Cui, Khizar Hayat, Yun Zhai, Qiang Zhang, Xiaoming Zhang, Chi-Tang Ho.  (2022)  Comparison of pyrazines formation in methionine/glucose and corresponding Amadori rearrangement product model.  FOOD CHEMISTRY,      [PMID:35245757] [10.1016/j.foodchem.2022.132500]