2-Ethyl-5-methylpyrazine - ≥98%, mixture of 2-Ethyl-5-methylpyrazine and 2-ethyl-6-methylpyrazine , CAS No.13360-64-0

CAS: 13360-64-0 Cat. No.: E302421 Peso molecular: 122.17 Número EC: 236-416-6

GRADE & PURITY ≥98%, mixture of 2-Ethyl-5-methylpyrazine and 2-ethyl-6-methylpyrazine

Synonyms

2-ETHYL-5-METHYLPYRAZINE|13360-64-0|Pyrazine, 2-ethyl-5-methyl-|2-Methyl-5-ethylpyrazine|5-ethyl-2-methylpyrazine|2-Ethyl-5-methyl pyrazine|FEMA No. 3154|2,5-Methylethylpyrazine|2-Ethyl-5-methylpyrazine, 9CI, 8CI|Pyrazine, 5-ethyl-2-methyl|W41R8X574D|2-Et

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-ETHYL-5-METHYLPYRAZINE | 13360-64-0 | Pyrazine, 2-ethyl-5-methyl- | 2-Methyl-5-ethylpyrazine | 5-ethyl-2-methylpyrazine | 2-Ethyl-5-methyl pyrazine | FEMA No. 3154 | 2, 5-Methylethylpyrazine | 2-Ethyl-5-methylpyrazine, 9CI, 8CI | Pyrazine, 5-ethyl-2-methyl | W41R8X574D | 2-Et

Especificaciones y pureza

≥98%, mixture of 2-Ethyl-5-methylpyrazine and 2-ethyl-6-methylpyrazine

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182987
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182987
• Sonrisas canónicas: CCC1=NC=C(N=C1)C
• IUPAC Name: 2-ethyl-5-methylpyrazine
• InChIKey: OXCKCFJIKRGXMM-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2/c1-3-7-5-8-6(2)4-9-7/h4-5H,3H2,1-2H3
• Isómeros SMILES: CCC1=NC=C(N=C1)C
• Peso molecular: 122.17
• Reaxy-Rn: 956719
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=956719&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

• Peso molecular: 122.170 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.084 Da
• Monoisotopic Mass: 122.084 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 83.000
• 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. Rui Liu, Hengye Chen, Shuo Wang, Liuna Wei, Yongjie Yu, Wei Lan, Jian Yang, Lanping Guo, Haiyan Fu.  (2021)  Maillard reaction products and guaiacol as production process and raw material markers for the authentication of sesame oil.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  102  (1): (250-258).  [PMID:34091922] [10.1002/jsfa.11353]

2. Qian Dun, Lei Yao, Zeyuan Deng, Hongyan Li, Jing Li, Yawei Fan, Bing Zhang.  (2018)  Effects of hot and cold-pressed processes on volatile compounds of peanut oil and corresponding analysis of characteristic flavor components.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2018.11.084]

3. Lin Li, Pingping Huang, Rujie Yang, Jingyu Li, Yuping Zhang, Junke Li, Jianjun Li, Jianmei Zhang, Nigel P. Brunton, Huan Liu, Xiangru Wei.  (2024)  Comparative analysis of key aroma compounds in air-frying roasted pork from five species.  Food Chemistry-X,      [PMID:39850936] [10.1016/j.fochx.2024.102008]

4. Mingzhu Zhou, Yiting Lu, Jinyu Yu, Chao Wang, Wei Yu, Liu Shi, Wenjin Wu, Lan Wang, Yu Qiao.  (2025)  Characterization of off-flavor compounds in ready-to-heat roasted catfish after reheating by sensomics approach.  Food Chemistry-X,      [PMID:40831966] [10.1016/j.fochx.2025.102872]

5. 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]

6. Huan Liu, Shuqi Zhao, Jingyu Li, Xinhe Zhang, Wenjing Li, Chanchan Sun, Chengyu Zeng, Cheng Li, Jiangyan Yu, Fengxue Zhang, Junke Li.  (2025)  Unraveling the formation of key aroma compounds in roasted pork during air frying: A complementary approach using GC-IMS, GC-O-MS, and GC × GC–MS.  Food Chemistry-X,      [PMID:41211150] [10.1016/j.fochx.2025.103163]

7. 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]