Dimethyl undecanedioate - ≥97% , CAS No.4567-98-0

CAS: 4567-98-0 Cat. No.: D342072 Formula: C₁₃H₂₄O₄ Peso molecolare: 244.33 Numero EC: 224-943-4

GRADE & PURITY ≥97%

Synonyms

1,11-dimethyl undecanedioate | AS-80931 | Dimethyl ester of undecanedioic acid | Undecanedioic acid, dimethyl ester | Dimethyl undecanedioate | D97181 | Dimethyl undecanedioate, technical, >=90% (GC) | Dimethylundecanedioate | Dimethyl 1,9-nonanedicarboxy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

1,11-dimethyl undecanedioate | AS-80931 | Dimethyl ester of undecanedioic acid | Undecanedioic acid, dimethyl ester | Dimethyl undecanedioate | D97181 | Dimethyl undecanedioate, technical, >=90% (GC) | Dimethylundecanedioate | Dimethyl 1,9-nonanedicarboxy

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488185563
• Sorrisi canonici: COC(=O)CCCCCCCCCC(=O)OC
• IUPAC Name: dimethyl undecanedioate
• InChIKey: LADJFIHHYMBJHB-UHFFFAOYSA-N
• INCHI: 1S/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3
• Isomeri SMILES: COC(=O)CCCCCCCCCC(=O)OC
• WGK Germania: 3
• Peso molecolare: 244.33
• Reaxy-Rn: 1789014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1789014&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 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: n20/D 1.440
• Punto di infiammabilità (°F): 228.2 °F
• Punto di infiammabilità (°C): 109 °C
• Punto di ebollizione (°C): 123-124 °C/2 mmHg (lit.)
• Punto di fusione (°C): 17-19 °C
• Peso molecolare: 244.330 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 244.167 Da
• Monoisotopic Mass: 244.167 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 191.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). 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 4567-98-0, the molecular formula is C13H24O4, and the molecular weight is 244.33 g/mol. InChIKey LADJFIHHYMBJHB-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.