Methyl 2-Oxovalerate - ≥90% , CAS No.6376-59-6

CAS: 6376-59-6 Cat. No.: M158155 Fórmula: C₆H₁₀O₃ Peso molecular: 130.14

GRADE & PURITY ≥90%

Synonyms

2-Oxovaleric Acid Methyl Ester | AKOS015855344 | MFCD10566912 | Methyl 2-oxopentanoate, tech. grade | methyl 2-oxopentanoate | Methyl 2-Oxovalerate | T72754 | 2-Oxovaleric acid, methyl ester | InChI=1/C6H10O3/c1-3-4-5(7)6(8)9-2/h3-4H2,1-2H | BS-44088 | me

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

2-Oxovaleric Acid Methyl Ester | AKOS015855344 | MFCD10566912 | Methyl 2-oxopentanoate, tech. grade | methyl 2-oxopentanoate | Methyl 2-Oxovalerate | T72754 | 2-Oxovaleric acid, methyl ester | InChI=1/C6H10O3/c1-3-4-5(7)6(8)9-2/h3-4H2,1-2H | BS-44088 | me

Especificaciones y pureza

≥90%

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

≥90%

Nombres e identificadores

Sonrisas canónicas

CCCC(=O)C(=O)OC

IUPAC Name

methyl 2-oxopentanoate

InChIKey

MBNLVYPIKSWXCT-UHFFFAOYSA-N

INCHI

1S/C6H10O3/c1-3-4-5(7)6(8)9-2/h3-4H2,1-2H3

Isómeros SMILES

CCCC(=O)C(=O)OC

Peso molecular

130.14

Reaxy-Rn

1854548

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1854548&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 esters
• Alternative Parents: Alpha-keto acids and derivatives Methyl esters Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Keto acid - Alpha-keto acid - 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
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

• Sensibilidad: Heat Sensitive
• Índice de refracción: 1.41
• Punto de inflamación (°C): 61 °C
• Punto de ebullición (°C): 62°C/12mmHg(lit.)
• Peso molecular: 130.139 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 130.063 Da
• Monoisotopic Mass: 130.063 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 117.000
• 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 ≥90% 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 6376-59-6, the molecular formula is C6H10O3, and the molecular weight is 130.14 g/mol. InChIKey MBNLVYPIKSWXCT-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.