ドデカン二酸ジエチル - ≥97%以上(GC) , CAS No.10471-28-0

CAS: 10471-28-0 Cat. No.: D155855 分子式: C₁₆H₃₀O₄ 分子量: 286.41 Beilstein Registry Number: 2(2)616

グレード＆純度 ≥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

ノーマル

仕様

同義語

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

仕様と純度

≥97%以上(GC)

保管条件

Store at 2-8°C

入荷

ノーマル

純度

≥97%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

CCOC(=O)CCCCCCCCCCC(=O)OCC

分子量

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
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 屈折率: 1.44
• 分子量: 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