Dimethyl Tetradecanedioate - ≥96%(GC) , CAS No.5024-21-5

CAS: 5024-21-5 Cat. No.: D155841 分子式: C₁₆H₃₀O₄ 分子量: 286.41 Beilstein Registry Number: 2(4)2149 EC番号: 225-711-5

GRADE & PURITY ≥96%(GC)

Synonyms

7GWB0779K1 | BS-17155 | SCHEMBL494114 | Tetradecanedioic Acid Dimethyl Ester | DTXSID7063681 | UNII-7GWB0779K1 | EINECS 225-711-5 | Tetradecanedioic acid, 1,14-dimethyl ester | 1,14-DIMETHYL TETRADECANEDIOATE | NSC 9505 | D81879 | DIMETHYLTETRADECANEDIOAT

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

7GWB0779K1 | BS-17155 | SCHEMBL494114 | Tetradecanedioic Acid Dimethyl Ester | DTXSID7063681 | UNII-7GWB0779K1 | EINECS 225-711-5 | Tetradecanedioic acid, 1,14-dimethyl ester | 1,14-DIMETHYL TETRADECANEDIOATE | NSC 9505 | D81879 | DIMETHYLTETRADECANEDIOAT

仕様と純度

≥96%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥96%(GC)

名前と識別子

パブケム・シド

488185611

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185611

カノニカル・スマイル

COC(=O)CCCCCCCCCCCCC(=O)OC

IUPAC Name

dimethyl tetradecanedioate

InChIKey

ZDJFDFNNEAPGOP-UHFFFAOYSA-N

INCHI

1S/C16H30O4/c1-19-15(17)13-11-9-7-5-3-4-6-8-10-12-14-16(18)20-2/h3-14H2,1-2H3

異性体SMILES

COC(=O)CCCCCCCCCCCCC(=O)OC

分子量

286.41

Beilstein

2(4)2149

Reaxy-Rn

1795010

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1795010&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 methyl esters
• Alternative Parents: Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Dicarboxylic acid or derivatives - Methyl ester - 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 methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• 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

• 沸点（°C）: 196°C/10mmHg(lit.)
• 融点（°C）: 43-46°C
• 分子量: 286.410 g/mol
• XLogP3: 5.200
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥96% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5024-21-5, the molecular formula is C16H30O4, and the molecular weight is 286.41 g/mol. InChIKey ZDJFDFNNEAPGOP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.