2-Etil-3,5(6)-dimetilpirazina - standard analitico, miscela di isomeri , CAS No.27043-05-6

CAS: 27043-05-6 Cat. No.: E133774 Formula: C₈H₁₂N₂ Peso molecolare: 136.19 Numero EC: 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

Conservare a 2-8°C

Shipped In

Ghiaccio umido

Specifications

Sinonimi

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-

Specifiche e purezza

standard analitico, miscela di isomeri

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C

Spedito in

Ghiaccio umido

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528756239
• Sorrisi canonici: 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
• Isomeri SMILES: CCC1=NC=C(N=C1C)C
• WGK Germania: 3
• Peso molecolare: 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
    • Classe Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.5015
• Punto di infiammabilità (°F): 156.2 °F
• Punto di infiammabilità (°C): 69 °C
• Punto di ebollizione (°C): 180-181 °C
• Peso molecolare: 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

Riferimenti

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]