2-Isobutyl-3-methylpyrazine - ≥98%(GC) , CAS No.13925-06-9

CAS: 13925-06-9 Cat. No.: I157645 Peso molecular: 150.23 Número EC: 237-693-6

GRADE & PURITY ≥98%(GC)

Synonyms

PYRAZINE, 2-METHYL-3-(2-METHYLPROPYL) | Pyrazine, 2-methyl-3-(2-methylpropyl)- | 2-ISOBUTYL-3-METHYL PYRAZINE [FHFI] | FEMA No. 3133 | DTXSID2065678 | Pyrazine, 2-isobutyl-3-methyl- | 2-ISOBUTYL-3-METHYLPYRAZINE | 2-Isobutyl-3-methyl-pyrazine | 4-chloro-4

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

PYRAZINE, 2-METHYL-3-(2-METHYLPROPYL) | Pyrazine, 2-methyl-3-(2-methylpropyl)- | 2-ISOBUTYL-3-METHYL PYRAZINE [FHFI] | FEMA No. 3133 | DTXSID2065678 | Pyrazine, 2-isobutyl-3-methyl- | 2-ISOBUTYL-3-METHYLPYRAZINE | 2-Isobutyl-3-methyl-pyrazine | 4-chloro-4

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488183012
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183012
• Sonrisas canónicas: CC1=NC=CN=C1CC(C)C
• IUPAC Name: 2-methyl-3-(2-methylpropyl)pyrazine
• InChIKey: ZHMIODDNZRIENW-UHFFFAOYSA-N
• INCHI: 1S/C9H14N2/c1-7(2)6-9-8(3)10-4-5-11-9/h4-5,7H,6H2,1-3H3
• Isómeros SMILES: CC1=NC=CN=C1CC(C)C
• Peso molecular: 150.23
• Reaxy-Rn: 956873
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956873&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.492(lit.)
• Punto de inflamación (°F): 82°C(lit.)
• Punto de inflamación (°C): 82°C(lit.)
• Punto de ebullición (°C): 199°C(lit.)
• Peso molecular: 150.220 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.116 Da
• Monoisotopic Mass: 150.116 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 112.000
• 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

Referencias

1. Wenwen Song, Mingming Dai, Shasha Gao, Yindong Mi, Shijia Zhang, Jianyong Wei, Honghai Zhao, Fangmeng Duan, Chen Liang, Qianqian Shi.  (2023)  Volatile organic compounds produced by Paenibacillus polymyxa J2-4 exhibit toxic activity against Meloidogyne incognita.  PEST MANAGEMENT SCIENCE,      [PMID:37899496] [10.1002/ps.7859]

2. Jiawei Du, Yang Zhang, Zhenzhen Ning, Sha Jiang, Jiahuan Liu, Xingting Ni, Qiang Li, Qiang Yang.  (2025)  Comparative Analysis of Pyrazine Compounds in Soy Sauce Aroma Baijiu from Different Regions and Their Impact on Flavor Profiles.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2025.108447]