Monomethyl Azelate - ≥97% , CAS No.2104-19-0

CAS: 2104-19-0 Cat. No.: M158698 Fórmula: C₁₀H₁₈O₄ Peso molecular: 202.25 Beilstein Registry Number: 1775790 Número CE: 218-275-2

GRADE & PURITY ≥97%

Synonyms

NSC 60226 | 5-Acetyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester | 9-Methoxy-9-oxononanoic acid | AZELAIC ACID, METHYL ESTER | 8-Carbomethoxyoctanoic acid | EINECS 218-275-2 | Nonanedioic acid, 1-methyl ester | Nonanedioic acid,1-methyl ester | Aze

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

NSC 60226 | 5-Acetyl-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester | 9-Methoxy-9-oxononanoic acid | AZELAIC ACID, METHYL ESTER | 8-Carbomethoxyoctanoic acid | EINECS 218-275-2 | Nonanedioic acid, 1-methyl ester | Nonanedioic acid,1-methyl ester | Aze

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504754892
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754892
• Sorrisos canónicos: COC(=O)CCCCCCCC(=O)O
• IUPAC Name: 9-methoxy-9-oxononanoic acid
• InChIKey: VVWPSAPZUZXYCM-UHFFFAOYSA-N
• INCHI: 1S/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12)
• SMILES isoméricas: COC(=O)CCCCCCCC(=O)O
• WGK Alemanha: 3
• Peso molecular: 202.25
• Beilstein: 1775790
• Reaxy-Rn: 1775786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1775786&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Fatty acid methyl esters Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Fatty acid methyl ester - Fatty acid ester - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• 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

Propriedades químicas e físicas

• Solubilidade: Not miscible in water.
• Sensibilidade: light sensitive;heat sensitive
• Ponto de inflamação (°F): 230 °F
• Ponto de inflamação (°C): 110 °C
• Ponto de ebulição (°C): 160°C/3mmHg(lit.)
• Ponto de fusão (°C): 22-24°C
• Peso molecular: 202.250 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 202.121 Da
• Monoisotopic Mass: 202.121 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 177.000
• 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