Diethyl succinate - Standard for GC, ≥99.6%(GC) , CAS No.123-25-1

CAS: 123-25-1 Cat. No.: D103964 Peso molecular: 174.19 Beilstein Registry Number: 907645 Número EC: 204-612-0

GRADE & PURITY Standard for GC, ≥99.6%(GC)

Synonyms

Diethylester kyseliny jantarove | F70092 | Diethylester kyseliny jantarove [Czech] | EN300-18004 | Tox21_300286 | DTXSID2038732 | DIETHYL SUCCINATE [FHFI] | Diethyl succinate, ReagentPlus(R), 99% | 1,4-diethyl butanedioate | Q-100106 | SCHEMBL22780 | Diet

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

Diethylester kyseliny jantarove | F70092 | Diethylester kyseliny jantarove [Czech] | EN300-18004 | Tox21_300286 | DTXSID2038732 | DIETHYL SUCCINATE [FHFI] | Diethyl succinate, ReagentPlus(R), 99% | 1, 4-diethyl butanedioate | Q-100106 | SCHEMBL22780 | Diet

Especificaciones y pureza

Standard for GC, ≥99.6%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Grado

Standard for GC

Pureza

≥99.6%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)CCC(=O)OCC
• IUPAC Name: diethyl butanedioate
• InChIKey: DKMROQRQHGEIOW-UHFFFAOYSA-N
• INCHI: 1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3
• Isómeros SMILES: CCOC(=O)CCC(=O)OCC
• WGK Alemania: 2
• RTECS: WM7400000
• Peso molecular: 174.19
• Beilstein: 907645
• Reaxy-Rn: 907645
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=907645&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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 Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.4201
• Punto de inflamación (°C): 110℃
• Punto de ebullición (°C): 216.5°C
• Punto de fusión (°C): -21°C
• Peso molecular: 174.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 174.089 Da
• Monoisotopic Mass: 174.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 135.000
• 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

Referencias

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