2-Ethyl-3,5(6)-dimethylpyrazine - analytical standard, mixture of isomers , CAS No.27043-05-6

CAS: 27043-05-6 Cat. No.: E133774 Molecular Weight: 136.19 EC Number: 248-182-2

GRADE & PURITY Analytical standard, mixture of isomers

Synonyms

2-ETHYL-3,5-DIMETHYLPYRAZINE|13925-07-0|3,5-Dimethyl-2-ethylpyrazine|Pyrazine, 2-ethyl-3,5-dimethyl-|27043-05-6|3-Ethyl-2,6-dimethylpyrazine|2,6-Dimethyl-3-ethylpyrazine|55031-15-7|FEMA 3150|2-Ethyl-3,5-dimethyl pyrazine|Pyrazine, 2,6-dimethyl-3-ethyl-|2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-ETHYL-3, 5-DIMETHYLPYRAZINE | 13925-07-0 | 3, 5-Dimethyl-2-ethylpyrazine | Pyrazine, 2-ethyl-3, 5-dimethyl- | 27043-05-6 | 3-Ethyl-2, 6-dimethylpyrazine | 2, 6-Dimethyl-3-ethylpyrazine | 55031-15-7 | FEMA 3150 | 2-Ethyl-3, 5-dimethyl pyrazine | Pyrazine, 2, 6-dimethyl-3-ethyl- | 2-

Specifications & Purity

analytical standard, mixture of isomers

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CCC1=NC=C(N=C1C)C
• IUPAC Name: 2-ethyl-3,5-dimethylpyrazine
• InChIKey: JZBCTZLGKSYRSF-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2/c1-4-8-7(3)10-6(2)5-9-8/h5H,4H2,1-3H3
• Isomeric SMILES: CCC1=NC=C(N=C1C)C
• WGK Germany: 3
• Molecular Weight: 136.19
• Reaxy-Rn: 636984
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636984&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

• Refractive Index: 1.5015
• Flash Point(°F): 156.2 °F
• Flash Point(°C): 69 °C
• Boil Point(°C): 180-181 °C
• 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. Huiying Zhang, Dian Huang, Dandan Pu, Yuyu Zhang, Haitao Chen, Baoguo Sun, Fazheng Ren.  (2020)  Multivariate relationships among sensory attributes and volatile components in commercial dry porcini mushrooms (Boletus edulis).  FOOD RESEARCH INTERNATIONAL,      [PMID:32466923] [10.1016/j.foodres.2020.109112]

2. Huiying Zhang, Dandan Pu, Baoguo Sun, Fazheng Ren, Yuyu Zhang, Haitao Chen.  (2018)  Characterization and comparison of key aroma compounds in raw and dry porcini mushroom (Boletus edulis) by aroma extract dilution analysis, quantitation and aroma recombination experiments.  FOOD CHEMISTRY,      [PMID:29655732] [10.1016/j.foodchem.2018.03.056]