2,5-Dimethylpyrazine - ≥98% , CAS No.123-32-0

CAS: 123-32-0 Cat. No.: D106345 Formula: C₆H₈N₂ Molecular Weight: 108.14 Beilstein Registry Number: 107052 EC Number: 204-618-3

GRADE & PURITY ≥98%

Synonyms

FEMA 3272 | FT-0610477 | 2,5-Dimethyl pyrazine | MFCD00006147 | AC-10703 | Z104477264 | D2171 | HY-34439 | InChI=1/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H | NCGC00184236-02 | 2,5-Dimethylpyrazine (contains 2,6-isomer) | F0001-0364 | AKOS003368403 | AMY23196

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Can be mixed with water in any ratio, with a roasted peanut aroma, creamy flavor, and baked potato flavor. Dissolve in water, ethanol, and ether. Can evaporate with water vapor.

Specifications

Synonyms

FEMA 3272 | FT-0610477 | 2,5-Dimethyl pyrazine | MFCD00006147 | AC-10703 | Z104477264 | D2171 | HY-34439 | InChI=1/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H | NCGC00184236-02 | 2,5-Dimethylpyrazine (contains 2,6-isomer) | F0001-0364 | AKOS003368403 | AMY23196

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504753439

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753439

Canonical Smiles

CC1=CN=C(C=N1)C

IUPAC Name

2,5-dimethylpyrazine

InChIKey

LCZUOKDVTBMCMX-UHFFFAOYSA-N

INCHI

1S/C6H8N2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3

Isomeric SMILES

CC1=CN=C(C=N1)C

WGK Germany

3

RTECS

UQ2800000

Molecular Weight

108.14

Beilstein

107052

Reaxy-Rn

107052

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107052&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: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: soluble in ethanol and ether
• Sensitivity: Moisture sensitive.Air sensitive
• x_refractive_index: 1.4970-1.5010
• x_flash_point_drop_fahrenheit: 147.2 °F
• x_flash_point_drop_centigrade: 63℃
• x_boil_point_char: 155°C
• x_melt_point_char: 15°C
• Molecular Weight: 108.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 62.900
• 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 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 123-32-0, the molecular formula is C6H8N2, and the molecular weight is 108.14 g/mol. InChIKey LCZUOKDVTBMCMX-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.