Ethyl Diformylacetate - ≥97% , CAS No.80370-42-9

CAS: 80370-42-9 Cat. No.: E156503 Fórmula: C₆H₈O₄ Peso molecular: 144.13 Número CE: 632-882-3

GRADE & PURITY ≥97%

Synonyms

2-FORMYL-3-OXOPROPIONIC ACID ETHYL ESTER | 2-formyl-3-oxo-propionic acid ethyl ester | ethoxycarbonylmalonaldehyde | E1128 | Formyl-3-oxo-propionic acid ethyl ester | propanoic acid,2-formyl-3-oxo-,ethyl ester | 2-FORMYL-3-OXO-PROPANOIC ACID ETHYL ESTER |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-FORMYL-3-OXOPROPIONIC ACID ETHYL ESTER | 2-formyl-3-oxo-propionic acid ethyl ester | ethoxycarbonylmalonaldehyde | E1128 | Formyl-3-oxo-propionic acid ethyl ester | propanoic acid,2-formyl-3-oxo-,ethyl ester | 2-FORMYL-3-OXO-PROPANOIC ACID ETHYL ESTER |

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504765907

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765907

Sorrisos canónicos

CCOC(=O)C(C=O)C=O

IUPAC Name

ethyl 2-formyl-3-oxopropanoate

InChIKey

HMFLBGNCDZYITR-UHFFFAOYSA-N

INCHI

1S/C6H8O4/c1-2-10-6(9)5(3-7)4-8/h3-5H,2H2,1H3

SMILES isoméricas

CCOC(=O)C(C=O)C=O

Peso molecular

144.13

Reaxy-Rn

1758941

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758941&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Aldehyde - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any group.
• 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive,heat sensitive
• Índice de refração: 1.47
• Ponto de inflamação (°C): 67 °C
• Ponto de ebulição (°C): 32°C/0.3mmHg(lit.)
• Peso molecular: 144.120 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 144.042 Da
• Monoisotopic Mass: 144.042 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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