Ethyl glyoxalate solution - 50% in toluene , CAS No.924-44-7

CAS: 924-44-7 Cat. No.: E106246 Peso molecular: 102.09 Beilstein Registry Number: 1209486 Número EC: 213-105-3

GRADE & PURITY 50% in toluene

Synonyms

Acetic acid, oxo-, ethyl ester | Glyoxylic acid ethyl ester | Glyoxylic acid, ethyl ester | IXX9MQ1J1I | ethyl 2-oxoacetate | Ethyl glyoxalate | Ethyl glyoxylate | oxoacetic acid ethyl ester | Ethyl oxoacetate | Acetic acid, 2-oxo-, ethyl ester

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Acetic acid, oxo-, ethyl ester | Glyoxylic acid ethyl ester | Glyoxylic acid, ethyl ester | IXX9MQ1J1I | ethyl 2-oxoacetate | Ethyl glyoxalate | Ethyl glyoxylate | oxoacetic acid ethyl ester | Ethyl oxoacetate | Acetic acid, 2-oxo-, ethyl ester

Especificaciones y pureza

50% in toluene

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 504754502
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754502
• Sonrisas canónicas: CCOC(=O)C=O
• IUPAC Name: ethyl 2-oxoacetate
• InChIKey: DBPFRRFGLYGEJI-UHFFFAOYSA-N
• INCHI: 1S/C4H6O3/c1-2-7-4(6)3-5/h3H,2H2,1H3
• Isómeros SMILES: CCOC(=O)C=O
• WGK Alemania: 3
• Número ONU: 1993
• Peso molecular: 102.09
• Beilstein: 1209486
• Reaxy-Rn: 1209486
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1209486&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Short-chain aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Short-chain aldehyde - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: ethyl ester - glyoxylate ester

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

Propiedades químicas y físicas

• Solubilidad: Immiscible with water.
• Sensibilidad: Air & Heat sensitive.
• Índice de refracción: 1.475
• Punto de inflamación (°C): 7℃
• Punto de ebullición (°C): 110°C
• Peso molecular: 102.090 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 102.032 Da
• Monoisotopic Mass: 102.032 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 77.000
• 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