2-Acetyl-3-methylpyrazin - ≥98% , CAS No.23787-80-6

CAS: 23787-80-6 Cat. No.: A113965 Summenformel: C₇H₈N₂O Molekulargewicht: 136.15 Beilstein Registry Number: 24(5)2,238 EG-Nummer: 245-889-8

GRADE & PURITY ≥98%

Synonyms

1-(3-Methyl-2-pyrazinyl)ethanone | Ethanone, 1-(3-methyl-2-pyrazinyl)- | Pyrazine, 2-acetyl-3-methyl | 2-ACETYL-3-METHYLPYRAZINE [FHFI] | acetyl-3-methylpyrazine, 2- | 2-ACETYL-3-METHYLPYRAZINE | 3-amino-5-methyl-1H-pyrazole-4-carboxylic acid;1-(3-Methylp

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

1-(3-Methyl-2-pyrazinyl)ethanone | Ethanone, 1-(3-methyl-2-pyrazinyl)- | Pyrazine, 2-acetyl-3-methyl | 2-ACETYL-3-METHYLPYRAZINE [FHFI] | acetyl-3-methylpyrazine, 2- | 2-ACETYL-3-METHYLPYRAZINE | 3-amino-5-methyl-1H-pyrazole-4-carboxylic acid;1-(3-Methylp

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488183183
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183183
• Kanonisches Lächeln: CC1=NC=CN=C1C(=O)C
• IUPAC Name: 1-(3-methylpyrazin-2-yl)ethanone
• InChIKey: QUNOTZOHYZZWKQ-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O/c1-5-7(6(2)10)9-4-3-8-5/h3-4H,1-2H3
• Isomere SMILES: CC1=NC=CN=C1C(=O)C
• WGK Deutschland: 3
• Molekulargewicht: 136.15
• Beilstein: 24(5)2,238
• Reaxy-Rn: 742438
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742438&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyrazines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Pyrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light Sensitive,Air Sensitive
• Brechungsindex: 1.5206-1.5226
• Flammpunkt (°F): 80℃
• Flammpunkt (°C): 80℃
• Siedepunkt (°C): 90°C
• Molekulargewicht: 136.150 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 42.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 136.000
• 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

Referenzen

1. Yanru Qiu, Yudong Wang, Wenrou Su, Feifei Wang.  (2025)  Revealing the impact of processing technology on the aroma profile of Roasted coffee (Coffea Arabica) oil using Flavoromics strategy and chemometrics.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.118913]

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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 23787-80-6, the molecular formula is C7H8N2O, and the molecular weight is 136.15 g/mol. InChIKey QUNOTZOHYZZWKQ-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.