2-formylpropionate d'éthyle - ≥97% , CAS No.27772-62-9

CAS: 27772-62-9 Cat. No.: E156505 Formule: C₆H₁₀O₃ Poids moléculaire: 130.14 Beilstein Registry Number: 3(4)1556 Numéro CE: 672-708-3

GRADE & PURITY ≥97%

Synonyms

MFCD00044012 | Ethyl 2-Formylpropionate | ethyl 2-formyl-propionate | 2-Formylproponic acid ethyl | CBA77262 | alpha-formylpropionic acid ethyl ester | A934224 | AKOS006228778 | Propanoic acid, 2-methyl-3-oxo-, ethyl ester | AS-50287 | DTXSID80447535 | fo

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Specifications

Synonymes

MFCD00044012 | Ethyl 2-Formylpropionate | ethyl 2-formyl-propionate | 2-Formylproponic acid ethyl | CBA77262 | alpha-formylpropionic acid ethyl ester | A934224 | AKOS006228778 | Propanoic acid, 2-methyl-3-oxo-, ethyl ester | AS-50287 | DTXSID80447535 | fo

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: CCOC(=O)C(C)C=O
• IUPAC Name: ethyl 2-methyl-3-oxopropanoate
• InChIKey: VVCYNVCCODBCOE-UHFFFAOYSA-N
• INCHI: 1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h4-5H,3H2,1-2H3
• Isomères SMILES: CCOC(=O)C(C)C=O
• Poids moléculaire: 130.14
• Beilstein: 3(4)1556
• Reaxy-Rn: 1702889
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1702889&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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air Sensitive,Heat Sensitive
• Indice de réfraction: 1.45
• Point d'éclair (°C): 54 °C
• Poids moléculaire: 130.139 g/mol
• XLogP3: 0.700
• 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: 109.000
• 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