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

CAS: 10471-28-0 Cat. No.: D155855 Formule: C₁₆H₃₀O₄ Poids moléculaire: 286.41 Beilstein Registry Number: 2(2)616

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

CCOC(=O)CCCCCCCCCCC(=O)OCC

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.44
• Poids moléculaire: 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