Ethyl methoxyacetate - ≥98% , CAS No.3938-96-3

CAS: 3938-96-3 Cat. No.: E136304 Fórmula: CH₃OCH₂COOC₂H₅ Peso molecular: 118.13 Beilstein Registry Number: 1744761 Número EC: 223-521-7

GRADE & PURITY ≥98%

Synonyms

Ethylmethoxyacetate | 1H-Purin-2-amine, 6-(methylthio)- | 2-Methoxy ethyl acetate | ethyl(methyloxy)acetate | FT-0626204 | 5-Methylfurmithide | AMY3969 | F11239 | Methoxyacetic acid ethyl ester | methoxy-acetic acid ethyl ester | Methylglycol acetate | LS

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

application：

Ethyl methoxyacetate was used:

as acyl donor during the preparation of enantiomers of several phenylethylamines

as acylation reagent for the aminolysis of 1-phenylethanamine

in an industrial, lipase-catalysed kinetic resolution of primary amine

Specifications

Sinónimos

Ethylmethoxyacetate | 1H-Purin-2-amine, 6-(methylthio)- | 2-Methoxy ethyl acetate | ethyl(methyloxy)acetate | FT-0626204 | 5-Methylfurmithide | AMY3969 | F11239 | Methoxyacetic acid ethyl ester | methoxy-acetic acid ethyl ester | Methylglycol acetate | LS

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488185420

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185420

Sonrisas canónicas

CCOC(=O)COC

IUPAC Name

ethyl 2-methoxyacetate

InChIKey

JLEKJZUYWFJPMB-UHFFFAOYSA-N

INCHI

1S/C5H10O3/c1-3-8-5(6)4-7-2/h3-4H2,1-2H3

Isómeros SMILES

CCOC(=O)COC

WGK Alemania

3

Número ONU

3272

Grupo de embalaje

III

Peso molecular

118.13

Beilstein

1744761

Reaxy-Rn

1744761

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744761&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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

• Solubilidad: Slightly soluble in water.
• Sensibilidad: Sensitive to air
• Índice de refracción: 1.401
• Punto de inflamación (°F): 114.8 °F
• Punto de inflamación (°C): 46 °C
• Punto de ebullición (°C): 44-45.5 °C
• Peso molecular: 118.130 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 70.100
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 3938-96-3, the molecular formula is C5H10O3, and the molecular weight is 118.13 g/mol. InChIKey JLEKJZUYWFJPMB-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.