2-sec-Butyl-3-methoxypyrazine - ≥97%(GC) , CAS No.24168-70-5

CAS: 24168-70-5 Cat. No.: E133284 Summenformel: C₉H₁₄N₂O Molekulargewicht: 166.22 Beilstein Registry Number: 23(5)11,188 EG-Nummer: 246-050-9

QUALITÄT & REINHEIT ≥97%(GC)

Synonyms

Q15635537 | 3-sec-Butyl-2-methoxypyrazine | AKOS003381940 | AC1469 | InChI=1/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3 | 2-butan-2-yl-3-methoxypyrazine | EINECS 246-050-9 | Pyrazine, 2-methoxy, 3-sec-butyl | Tox21_301823 | 2-(butan-2-yl)-3-me

Storage

Room temperature

Shipped In

Normal

Übersicht

Product Describtion:

2-sec-Butyl-3-methoxypyrazine was identified as the main source of earthy/bell pepper (EBP) flavor in the Farmstead Cheddar cheeses.

Spezifikationen

Synonyme

Q15635537 | 3-sec-Butyl-2-methoxypyrazine | AKOS003381940 | AC1469 | InChI=1/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3 | 2-butan-2-yl-3-methoxypyrazine | EINECS 246-050-9 | Pyrazine, 2-methoxy, 3-sec-butyl | Tox21_301823 | 2-(butan-2-yl)-3-me

Spezifikationen & Reinheit

≥97%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

488190045

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190045

Kanonisches Lächeln

CCC(C)C1=NC=CN=C1OC

IUPAC Name

2-butan-2-yl-3-methoxypyrazine

InChIKey

QMQDJVIJVPEQHE-UHFFFAOYSA-N

INCHI

1S/C9H14N2O/c1-4-7(2)8-9(12-3)11-6-5-10-8/h5-7H,4H2,1-3H3

Isomere SMILES

CCC(C)C1=NC=CN=C1OC

WGK Deutschland

3

Molekulargewicht

166.22

Beilstein

23(5)11,188

Reaxy-Rn

879302

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=879302&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.49
• Flammpunkt (°F): 170.6 °F
• Flammpunkt (°C): 77 °C
• Siedepunkt (°C): 99 °C/20 mmHg
• Molekulargewicht: 166.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.111 Da
• Monoisotopic Mass: 166.111 Da
• Topological Polar Surface Area: 35.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 24168-70-5, the molecular formula is C9H14N2O, and the molecular weight is 166.22 g/mol. InChIKey QMQDJVIJVPEQHE-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.