Azelato di monometile - ≥97% , CAS No.2104-19-0

CAS: 2104-19-0 Cat. No.: M158698 Formula: C₁₀H₁₈O₄ Peso molecolare: 202.25 Beilstein Registry Number: 1775790 Numero EC: 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

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 504754892
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754892
• Sorrisi canonici: 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)
• Isomeri SMILES: COC(=O)CCCCCCCC(=O)O
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Not miscible in water.
• Sensibilità: light sensitive;heat sensitive
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): 110 °C
• Punto di ebollizione (°C): 160°C/3mmHg(lit.)
• Punto di fusione (°C): 22-24°C
• Peso molecolare: 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