Diethyl succinate - 10mM in DMSO , CAS No.123-25-1

CAS: 123-25-1 Cat. No.: D421007 Summenformel: C₈H₁₄O₄ Molekulargewicht: 174.19 Beilstein Registry Number: 907645 EG-Nummer: 204-612-0

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

• Pubchem Sid: 528773308
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528773308
• Kanonisches Lächeln: 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
• Isomere SMILES: CCOC(=O)CCC(=O)OCC
• WGK Deutschland: 2
• RTECS: WM7400000
• Molekulargewicht: 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
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.4201
• Flammpunkt (°C): 110℃
• Siedepunkt (°C): 216.5°C
• Schmelzpunkt (°C): -21°C
• Molekulargewicht: 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

Referenzen

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