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

CAS: 13925-07-0 Cat. No.: E103761 Summenformel: C₈H₁₂N₂ Molekulargewicht: 136.19 EG-Nummer: 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

Übersicht

application：

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%, mixture of isomers

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488183013

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

CCC1=NC=C(N=C1C)C

Molekulargewicht

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
    • Klasse Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Not miscible or difficult to mix in water. Soluble in alcohol, chloroform and dichloromethane
• Brechungsindex: 1.5015
• Flammpunkt (°F): 66°(151°F)
• Flammpunkt (°C): 66°(151°F)
• Siedepunkt (°C): 182°C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.