Diethyl sebacate - Standard for GC, ≥99.5%(GC) , CAS No.110-40-7

CAS: 110-40-7 Cat. No.: D104015 分子式: C₁₄H₂₆O₄ 分子量: 258.35 Beilstein Registry Number: 1790779 EC番号: 203-764-5

グレード＆純度 Standard for GC, ≥99.5%(GC)

Synonyms

Decanedioic acid, 1,10-diethyl ester|Decanedioic acid, diethyl ester|Ethyl sebacate|1,10-diethyl decanedioate|Diethyl sebecate|DIETHYL SEBACATE|DIETHYL SEBACATE [FHFI]|Sebacinsaurediathylester|DIETHYL SEBACATE [FCC]|DECANEDIOIC ACID,DIETHYL ESTER|Bisoflex DES|DIETHYL SEBACATE [INCI]|Ethyl sebacate (VAN)|Decanedioic acid 1,10-diethyl ester, NSC 8911, Sebacic acid diethyl ester|Diethyl sebacate (NF)|SEBACIC ACID DIETHYL ESTER [MI]|Sebacic acid, diethyl ester|Sebacic acid diethyl ester|Diethyl decanedioate|DIETHYL SEBACATE [USP-RS]|Diethyl 1,8-octanedicarboxylate|DECANEDIOIC ACID 1,10-DIETHYL ESTER|Decanedioic Acid Diethyl Ester|DIETHYL SEBACATE [II]

Storage

Desiccated,Room temperature

Shipped In

Normal

仕様

同義語

Decanedioic acid, 1,10-diethyl ester | Decanedioic acid, diethyl ester | Ethyl sebacate | 1,10-diethyl decanedioate | Diethyl sebecate | DIETHYL SEBACATE | DIETHYL SEBACATE [FHFI] | Sebacinsaurediathylester | DIETHYL SEBACATE [FCC] | DECANEDIOIC ACID,DIETHYL ESTER | Bisoflex DES | DIETHYL SEBACATE [INCI] | Ethyl sebacate (VAN) | Decanedio もっと見る

仕様と純度

Standard for GC, ≥99.5%(GC)

保管条件

Desiccated,Room temperature

入荷

Normal

等級

Standard for GC

純度

≥99.5%(GC)

名前と識別子

パブケム・シド

528773664

カノニカル・スマイル

CCOC(=O)CCCCCCCCC(=O)OCC

IUPAC Name

diethyl decanedioate

InChIKey

ONKUXPIBXRRIDU-UHFFFAOYSA-N

INCHI

1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3

異性体SMILES

CCOC(=O)CCCCCCCCC(=O)OCC

WGKドイツ

2

RTECS

VS1180000

分子量

258.35

Beilstein

1790779

Reaxy-Rn

1790779

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1790779&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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water, soluble in alcohol, ether, and acetone.
• 屈折率: 1.4366
• 引火点（°F）: 235.4 °F
• 引火点（°C）: >110℃
• 沸点（°C）: 312°C
• 融点（°C）: 1-2°C
• 分子量: 258.350 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 258.183 Da
• Monoisotopic Mass: 258.183 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 202.000
• 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