Diformilacetato di etile - ≥97% , CAS No.80370-42-9

CAS: 80370-42-9 Cat. No.: E156503 Formula: C₆H₈O₄ Peso molecolare: 144.13 Numero EC: 632-882-3

GRADE & PURITY ≥97%

Synonyms

aCIDO 2-FORMIL-3-OSSOPROPIONICO ESTERE ETILE | Acido 2-formil-3-oxo-propionico estere etilico | etossicarbonilmalonaldeide | E1128 | Acido formil-3-oxo-propionico estere etilico | Acido propanoico, 2-formil-3-oxo-, estere etilico | ACIDO 2-FORMIL-3-OSSO-P

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

aCIDO 2-FORMIL-3-OSSOPROPIONICO ESTERE ETILE | Acido 2-formil-3-oxo-propionico estere etilico | etossicarbonilmalonaldeide | E1128 | Acido formil-3-oxo-propionico estere etilico | Acido propanoico, 2-formil-3-oxo-, estere etilico | ACIDO 2-FORMIL-3-OSSO-P

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504765907

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: air sensitive,heat sensitive
• Indice di rifrazione: 1.47
• Punto di infiammabilità (°C): 67 °C
• Punto di ebollizione (°C): 32°C/0.3mmHg(lit.)
• Peso molecolare: 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