Methyl 5,5-dimethoxyvalerate - ≥96% , CAS No.23068-91-9

CAS: 23068-91-9 Cat. No.: M468113 Fórmula: C₈H₁₆O₄ Peso molecular: 176.21 Número EC: 624-904-5

CALIDAD & PUREZA ≥96%

Synonyms

J-014973 | Methyl 5,5-dimethoxypentanoate # | DTXSID60338851 | Methyl 5,5-dimethoxyvalerate | Methyl 5,5-dimethoxyvalerate, 96% | Pentanoic acid, 5,5-dimethoxy-, methyl ester | SCHEMBL1308174 | FT-0765803 | Methyl 5,5-bis(methyloxy)pentanoate | Methyl 5,5

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Methyl 5,5-dimethoxyvalerate (methyl 5,5-dimethoxypentanoate) is an ester. It can be prepared by reacting methyl 5-oxopentanoate with p-toluene sulfonic acid and trimethylorthoformate. It participates in the synthesis of 1-palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphatidylcholine.

Application

Methyl 5,5-dimethoxyvalerate may be employed in the synthesis of seven-membered carbocycles. It may be used in the synthesis of 5-(phenylamino)-4-(phenylimino)methyl)-4-pentenoic acid derivatives.

Especificaciones

Sinónimos

J-014973 | Methyl 5,5-dimethoxypentanoate # | DTXSID60338851 | Methyl 5,5-dimethoxyvalerate | Methyl 5,5-dimethoxyvalerate, 96% | Pentanoic acid, 5,5-dimethoxy-, methyl ester | SCHEMBL1308174 | FT-0765803 | Methyl 5,5-bis(methyloxy)pentanoate | Methyl 5,5

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

Sonrisas canónicas

COC(CCCC(=O)OC)OC

IUPAC Name

methyl 5,5-dimethoxypentanoate

InChIKey

YOFAONQHOIRLCQ-UHFFFAOYSA-N

INCHI

1S/C8H16O4/c1-10-7(9)5-4-6-8(11-2)12-3/h8H,4-6H2,1-3H3

Isómeros SMILES

COC(CCCC(=O)OC)OC

WGK Alemania

3

Peso molecular

176.21

Reaxy-Rn

1766527

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Índice de refracción: n20/D 1.422 (lit.)
• Punto de inflamación (°F): 145.4 °F
• Punto de inflamación (°C): 63 °C
• Punto de ebullición (°C): 70-72 °C/2 mmHg (lit.)
• Peso molecular: 176.210 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 176.105 Da
• Monoisotopic Mass: 176.105 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 120.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 23068-91-9, the molecular formula is C8H16O4, and the molecular weight is 176.21 g/mol. InChIKey YOFAONQHOIRLCQ-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.