2-Ethyl-3,5(6)-dimethylpyrazine - ≥98%, mixture of isomers , CAS No.13925-07-0

CAS: 13925-07-0 Cat. No.: E103761 Formula: C₈H₁₂N₂ Peso molecolare: 136.19 Numero EC: 237-694-1

GRADE & PURITY ≥98%, mixture of isomers

Synonyms

AS-50065 | SCHEMBL108874 | MFCD29918847 | 2-Ethyl-3,5-dimethyl pyrazine | FT-0638664 | BRN 0636984 | Pyrazine, 2,6-dimethyl-3-ethyl- | Pyrazine, 3-ethyl-2,6-dimethyl | 3-ETHYL-2,6-DIMETHYLPYRAZINE [FHFI] | SMR000127410 | AKOS015899029 | 2-Ethyl-3,5(6)-dim

Storage

Room temperature

Shipped In

Normal

Panoramica

application：

It is applied as an odorant of coffee brews, nutty flavor products and roasted food products.

Specifications

Sinonimi

AS-50065 | SCHEMBL108874 | MFCD29918847 | 2-Ethyl-3,5-dimethyl pyrazine | FT-0638664 | BRN 0636984 | Pyrazine, 2,6-dimethyl-3-ethyl- | Pyrazine, 3-ethyl-2,6-dimethyl | 3-ETHYL-2,6-DIMETHYLPYRAZINE [FHFI] | SMR000127410 | AKOS015899029 | 2-Ethyl-3,5(6)-dim

Specifiche e purezza

≥98%, mixture of isomers

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488183013

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183013

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

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

• Solubilità: Not miscible or difficult to mix in water. Soluble in alcohol, chloroform and dichloromethane
• Indice di rifrazione: 1.5015
• Punto di infiammabilità (°F): 66°(151°F)
• Punto di infiammabilità (°C): 66°(151°F)
• Punto di ebollizione (°C): 182°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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13925-07-0, the molecular formula is C8H12N2, and the molecular weight is 136.19 g/mol. InChIKey JZBCTZLGKSYRSF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.