Ethyl 2-oxobutyrate - ≥95% , CAS No.15933-07-0

CAS: 15933-07-0 Cat. No.: E181823 Formule: C₆H₁₀O₃ Poids moléculaire: 130.1 Numéro CE: 240-071-7

GRADE & PURITY ≥95%

Synonyms

ethyl 2-oxobutanoate|15933-07-0|Butanoic acid, 2-oxo-, ethyl ester|ethyl 2-ketobutyrate|2-Oxo-butyric acid ethyl ester|Ethyl 3-oxobutanoate sodium salt|Ethyl 3-methylpyruvate|MFCD03265336|EINECS 240-071-7|Ethyl a-oxobutyrate|Ethyl2-oxobutanoate|ethyl 2-ox

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

ethyl 2-oxobutanoate | 15933-07-0 | Butanoic acid, 2-oxo-, ethyl ester | ethyl 2-ketobutyrate | 2-Oxo-butyric acid ethyl ester | Ethyl 3-oxobutanoate sodium salt | Ethyl 3-methylpyruvate | MFCD03265336 | EINECS 240-071-7 | Ethyl a-oxobutyrate | Ethyl2-oxobutanoate | ethyl 2-ox

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CCC(=O)C(=O)OCC
• IUPAC Name: ethyl 2-oxobutanoate
• InChIKey: FJAKCEHATXBFJT-UHFFFAOYSA-N
• INCHI: 1S/C6H10O3/c1-3-5(7)6(8)9-4-2/h3-4H2,1-2H3
• Isomères SMILES: CCC(=O)C(=O)OCC
• Poids moléculaire: 130.1
• Reaxy-Rn: 1753936
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753936&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Alpha-keto acids and derivatives Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Keto acid - Alpha-keto acid - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 130.139 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.063 Da
• Monoisotopic Mass: 130.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 117.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). 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 15933-07-0, the molecular formula is C6H10O3, and the molecular weight is 130.1 g/mol. InChIKey FJAKCEHATXBFJT-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.