2-Ethyl-3-methoxypyrazine - ≥98% , CAS No.25680-58-4

CAS: 25680-58-4 Cat. No.: E474282 Formula: C₇H₁₀N₂O Molecular Weight: 138.17 EC Number: 247-184-0

GRADE & PURITY ≥98%

Synonyms

W-107227 | DPCILIMHENXHQX-UHFFFAOYSA-N | EINECS 247-184-0 | 2-methoxy-3-ethyl pyrazine | SCHEMBL1607631 | DTXSID1067124 | 3-ethyl-2-methoxypyrazine | SY032230 | DS-14874 | InChI=1/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H | 2-ETHYL-3-METHOXYPYRAZINE

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

2-Ethyl-3-methoxypyrazine has been employed as internal standard for determination of taste and odour causing compounds using the granular adsorbent, Ambersorb 572, by gas chromatography-high resolution mass spectrometry.

Specifications

Synonyms

W-107227 | DPCILIMHENXHQX-UHFFFAOYSA-N | EINECS 247-184-0 | 2-methoxy-3-ethyl pyrazine | SCHEMBL1607631 | DTXSID1067124 | 3-ethyl-2-methoxypyrazine | SY032230 | DS-14874 | InChI=1/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H | 2-ETHYL-3-METHOXYPYRAZINE

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753500
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753500
• Canonical Smiles: CCC1=NC=CN=C1OC
• IUPAC Name: 2-ethyl-3-methoxypyrazine
• InChIKey: DPCILIMHENXHQX-UHFFFAOYSA-N
• INCHI: 1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3
• Isomeric SMILES: CCC1=NC=CN=C1OC
• Molecular Weight: 138.17
• Reaxy-Rn: 879156
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879156&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxypyrazines
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxypyrazine - Alkyl aryl ether - Heteroaromatic compound - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxypyrazines. These are pyrazines containing a methoxyl group attached to the pyrazine ring.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: n20/D 1.502 (lit.)
• Boil Point(°C): 90 °C/40 mmHg (lit.)
• Molecular Weight: 138.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 138.079 Da
• Monoisotopic Mass: 138.079 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.600
• 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

Frequently Asked Questions

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 25680-58-4, the molecular formula is C7H10N2O, and the molecular weight is 138.17 g/mol. InChIKey DPCILIMHENXHQX-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.