Diethyl sebacate - Standard for GC, ≥99.5%(GC) , CAS No.110-40-7

CAS: 110-40-7 Cat. No.: D104015 Fórmula: C₁₄H₂₆O₄ Peso molecular: 258.35 Beilstein Registry Number: 1790779 Número EC: 203-764-5

CALIDAD & PUREZA Standard for GC, ≥99.5%(GC)

Synonyms

Decanedioic acid, 1,10-diethyl ester|Decanedioic acid, diethyl ester|Ethyl sebacate|1,10-diethyl decanedioate|Diethyl sebecate|DIETHYL SEBACATE|DIETHYL SEBACATE [FHFI]|Sebacinsaurediathylester|DIETHYL SEBACATE [FCC]|DECANEDIOIC ACID,DIETHYL ESTER|Bisoflex DES|DIETHYL SEBACATE [INCI]|Ethyl sebacate (VAN)|Decanedioic acid 1,10-diethyl ester, NSC 8911, Sebacic acid diethyl ester|Diethyl sebacate (NF)|SEBACIC ACID DIETHYL ESTER [MI]|Sebacic acid, diethyl ester|Sebacic acid diethyl ester|Diethyl decanedioate|DIETHYL SEBACATE [USP-RS]|Diethyl 1,8-octanedicarboxylate|DECANEDIOIC ACID 1,10-DIETHYL ESTER|Decanedioic Acid Diethyl Ester|DIETHYL SEBACATE [II]

Storage

Desiccated,Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

Decanedioic acid, 1,10-diethyl ester | Decanedioic acid, diethyl ester | Ethyl sebacate | 1,10-diethyl decanedioate | Diethyl sebecate | DIETHYL SEBACATE | DIETHYL SEBACATE [FHFI] | Sebacinsaurediathylester | DIETHYL SEBACATE [FCC] | DECANEDIOIC ACID,DIETHYL ESTER | Bisoflex DES | DIETHYL SEBACATE [INCI] | Ethyl sebacate (VAN) | Decanedio Show more

Especificaciones y pureza

Standard for GC, ≥99.5%(GC)

Condiciones de almacenamiento de almacenamiento

Desiccated,Room temperature

Enviado en

Normal

Grado

Standard for GC

Pureza

≥99.5%(GC)

Nombres e identificadores

Pubchem Sid

528773664

Sonrisas canónicas

CCOC(=O)CCCCCCCCC(=O)OCC

IUPAC Name

diethyl decanedioate

InChIKey

ONKUXPIBXRRIDU-UHFFFAOYSA-N

INCHI

1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3

Isómeros SMILES

CCOC(=O)CCCCCCCCC(=O)OCC

WGK Alemania

2

RTECS

VS1180000

Peso molecular

258.35

Beilstein

1790779

Reaxy-Rn

1790779

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790779&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

• Solubilidad: Slightly soluble in water, soluble in alcohol, ether, and acetone.
• Índice de refracción: 1.4366
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 312°C
• Punto de fusión (°C): 1-2°C
• Peso molecular: 258.350 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 258.183 Da
• Monoisotopic Mass: 258.183 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 202.000
• 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