mono-Ethyl succinate - ≥95% , CAS No.1070-34-4

CAS: 1070-34-4 Cat. No.: M102994 Formula: HO₂CCH₂CH₂CO₂C₂H₅ Peso molecolare: 146.14 Numero EC: 213-973-3

GRADE & PURITY ≥95%

Synonyms

Butanedioic acid, 1-ethyl ester | Z56896764 | 3H-Pyridazino[3,4,5-de]quinazolin-3-one, 8-[(1,3-dihydro-2H-isoindol-2-yl)methyl]-1,2-dihydro- | CHEBI:88827 | Bernsteinsaureathylester | SY058510 | 4-Ethoxy-4-oxobutanoic acid # | N-(3-((1R,2S,7R,8S)-3-((4-fl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

Butanedioic acid, 1-ethyl ester | Z56896764 | 3H-Pyridazino[3,4,5-de]quinazolin-3-one, 8-[(1,3-dihydro-2H-isoindol-2-yl)methyl]-1,2-dihydro- | CHEBI:88827 | Bernsteinsaureathylester | SY058510 | 4-Ethoxy-4-oxobutanoic acid # | N-(3-((1R,2S,7R,8S)-3-((4-fl

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488184556
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184556
• Sorrisi canonici: CCOC(=O)CCC(=O)O
• IUPAC Name: 4-ethoxy-4-oxobutanoic acid
• InChIKey: LOLKAJARZKDJTD-UHFFFAOYSA-N
• INCHI: 1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
• Isomeri SMILES: CCOC(=O)CCC(=O)O
• WGK Germania: 1
• Peso molecolare: 146.14
• Reaxy-Rn: 1705617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705617&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: Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.432
• Punto di infiammabilità (°F): 113 °C
• Punto di infiammabilità (°C): 113°C
• Punto di ebollizione (°C): 248°C
• Peso molecolare: 146.140 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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