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

GRAU & 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

Especificações

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

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

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

SMILES isoméricas

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
    • 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 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Índice de refração: 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