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

CAS: 3938-96-3 Cat. No.: E136304 分子式: CH₃OCH₂COOC₂H₅ 分子量: 118.13 Beilstein Registry Number: 1744761 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488185420

パブケム・シド・ウル

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

カノニカル・スマイル

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

異性体SMILES

CCOC(=O)COC

WGKドイツ

3

UN番号

3272

包装グループ

III

分子量

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
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Slightly soluble in water.
• 感度: Sensitive to air
• 屈折率: 1.401
• 引火点（°F）: 114.8 °F
• 引火点（°C）: 46 °C
• 沸点（°C）: 44-45.5 °C
• 分子量: 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

よくある質問

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.