Monoethyl Glutarate - ≥98%(GC) , CAS No.1070-62-8

CAS: 1070-62-8 Cat. No.: M158393 Fórmula: C₇H₁₂O₄ Peso molecular: 160.17 Número EC: 213-977-5

GRADE & PURITY ≥98%(GC)

Synonyms

MYMNBFURSYZQBR-UHFFFAOYSA-N | Ethyl glutarate,mono | G0271 | FT-0625775 | MFCD00014379 | BP-13014 | AMY3769 | EINECS 213-977-5 | BAA07062 | J-521249 | MONOETHYL GLUTARATE | A801567 | 5-ethoxy-5-oxopentanoic acid | Ethyl hydrogen glutarate | AI3-06343 | Pe

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

MYMNBFURSYZQBR-UHFFFAOYSA-N | Ethyl glutarate,mono | G0271 | FT-0625775 | MFCD00014379 | BP-13014 | AMY3769 | EINECS 213-977-5 | BAA07062 | J-521249 | MONOETHYL GLUTARATE | A801567 | 5-ethoxy-5-oxopentanoic acid | Ethyl hydrogen glutarate | AI3-06343 | Pe

Especificaciones y pureza

≥98%(GC)

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

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488183735

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183735

Sonrisas canónicas

CCOC(=O)CCCC(=O)O

IUPAC Name

5-ethoxy-5-oxopentanoic acid

InChIKey

MYMNBFURSYZQBR-UHFFFAOYSA-N

INCHI

1S/C7H12O4/c1-2-11-7(10)5-3-4-6(8)9/h2-5H2,1H3,(H,8,9)

Isómeros SMILES

CCOC(=O)CCCC(=O)O

Peso molecular

160.17

Reaxy-Rn

1766397

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766397&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: Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - 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

• Índice de refracción: 1.44
• Punto de ebullición (°C): 170°C/34mmHg
• Peso molecular: 160.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 160.074 Da
• Monoisotopic Mass: 160.074 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 1070-62-8, the molecular formula is C7H12O4, and the molecular weight is 160.17 g/mol. InChIKey MYMNBFURSYZQBR-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.