Diethyl dodecanedioate - ≥97% , CAS No.10471-28-0

CAS: 10471-28-0 Cat. No.: D155855 Fórmula: C₁₆H₃₀O₄ Peso molecular: 286.41 Beilstein Registry Number: 2(2)616

CALIDAD & PUREZA ≥97%

Synonyms

Diethyl 1,10-Decanedicarboxylate|Dodecanedioic acid, diethyl ester|DODECANEDIOICACIDDIETHYLESTER|Diethyl dodecanedioate #|ETHYL 11-ETHOXYCARBONYLDODECANOATE|Docanedioic acid diethyl ester|diethyl 1,12-dodecanedioate|Dodecanedioic acid, 1,12-diethyl ester|Dodecanedioic Acid Diethyl Ester|Diethyl dodecanedioate

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

Diethyl 1,10-Decanedicarboxylate | Dodecanedioic acid, diethyl ester | DODECANEDIOICACIDDIETHYLESTER | Diethyl dodecanedioate # | ETHYL 11-ETHOXYCARBONYLDODECANOATE | Docanedioic acid diethyl ester | diethyl 1,12-dodecanedioate | Dodecanedioic acid, 1,12-diethyl ester | Dodecanedioic Acid Diethyl Ester | Diethyl dodecanedioate

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

CCOC(=O)CCCCCCCCCCC(=O)OCC

IUPAC Name

diethyl dodecanedioate

InChIKey

AFYNPRWLOKYLDU-UHFFFAOYSA-N

INCHI

1S/C16H30O4/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2/h3-14H2,1-2H3

Isómeros SMILES

CCOC(=O)CCCCCCCCCCC(=O)OCC

Peso molecular

286.41

Beilstein

2(2)616

Reaxy-Rn

1712929

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1712929&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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.44
• Peso molecular: 286.410 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 286.214 Da
• Monoisotopic Mass: 286.214 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 225.000
• 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