Methyl 5-oxooctadecanoate , CAS No.2380-20-3

CAS: 2380-20-3 Cat. No.: M342563 Fórmula: CH₃(CH₂)₁₂CO(CH₂)₃CO₂CH₃ Peso molecular: 312.49

Synonyms

methyl 5-oxostearate | SCHEMBL8728909 | Methyl 5-oxooctadecanoate | Methyl 5-oxo-octadecanoate | METHYL5-OXOOCTADECANOATE | DTXSID80392910 | AKOS015894366 | BVRPGVKJUHZXTH-UHFFFAOYSA-N | Methyl 5-oxooctadecanoate,99% | J-015216 | Methyl 5-oxooctadecanoate

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

methyl 5-oxostearate | SCHEMBL8728909 | Methyl 5-oxooctadecanoate | Methyl 5-oxo-octadecanoate | METHYL5-OXOOCTADECANOATE | DTXSID80392910 | AKOS015894366 | BVRPGVKJUHZXTH-UHFFFAOYSA-N | Methyl 5-oxooctadecanoate,99% | J-015216 | Methyl 5-oxooctadecanoate

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nomes e identificadores

• Sorrisos canónicos: CCCCCCCCCCCCCC(=O)CCCC(=O)OC
• IUPAC Name: methyl 5-oxooctadecanoate
• InChIKey: BVRPGVKJUHZXTH-UHFFFAOYSA-N
• INCHI: 1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(20)16-14-17-19(21)22-2/h3-17H2,1-2H3
• SMILES isoméricas: CCCCCCCCCCCCCC(=O)CCCC(=O)OC
• WGK Alemanha: 3
• Peso molecular: 312.49
• Reaxy-Rn: 1796480
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1796480&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: Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): >235.4 °F
• Ponto de inflamação (°C): >113 °C
• Ponto de fusão (°C): 58-60° C (lit.)
• Peso molecular: 312.500 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 312.266 Da
• Monoisotopic Mass: 312.266 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 274.000
• 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

Perguntas frequentes

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 2380-20-3, the molecular formula is CH3(CH2)12CO(CH2)3CO2CH3, and the molecular weight is 312.49 g/mol. InChIKey BVRPGVKJUHZXTH-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.