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

CAS: 10471-28-0 Cat. No.: D155855 Summenformel: C₁₆H₃₀O₄ Molekulargewicht: 286.41 Beilstein Registry Number: 2(2)616

GRADE & PURITY ≥97%

Synonyms

FT-0636708 | DTXSID50146669 | AFYNPRWLOKYLDU-UHFFFAOYSA-N | Diethyl 1,10-Decanedicarboxylate | MV7BNQ5GTQ | AKOS015915583 | EINECS 233-960-6 | Dodecanedioic acid, diethyl ester | DODECANEDIOICACIDDIETHYLESTER | J-001234 | Diethyl dodecanedioate # | ETHYL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

FT-0636708 | DTXSID50146669 | AFYNPRWLOKYLDU-UHFFFAOYSA-N | Diethyl 1,10-Decanedicarboxylate | MV7BNQ5GTQ | AKOS015915583 | EINECS 233-960-6 | Dodecanedioic acid, diethyl ester | DODECANEDIOICACIDDIETHYLESTER | J-001234 | Diethyl dodecanedioate # | ETHYL

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: CCOC(=O)CCCCCCCCCCC(=O)OCC
• Molekulargewicht: 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
    • 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 1.44
• Molekulargewicht: 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