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

CAS: 2104-19-0 Cat. No.: M158698 Formule: C₁₀H₁₈O₄ Poids moléculaire: 202.25 Beilstein Registry Number: 1775790 Numéro 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504754892

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754892

Sourires canoniques

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)

Isomères SMILES

COC(=O)CCCCCCCC(=O)O

WGK Allemagne

3

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Not miscible in water.
• Sensibilité: light sensitive;heat sensitive
• Point d'éclair (°F): 230 °F
• Point d'éclair (°C): 110 °C
• Point d'ébullition (°C): 160°C/3mmHg(lit.)
• Point de fusion (°C): 22-24°C
• Poids moléculaire: 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