2-Methoxyethyl acetoacetate - ≥96% , CAS No.22502-03-0

CAS: 22502-03-0 Cat. No.: M109789 Summenformel: C₇H₁₂O₄ Molekulargewicht: 160.17 Beilstein Registry Number: 2079850 EG-Nummer: 245-043-8

GRADE & PURITY ≥96%

Synonyms

STL141089 | FT-0612839 | F0001-0791 | SCHEMBL410988 | DTXSID20177026 | AMY25617 | FT-0621770 | methoxyethyl acetoacetate | O-ethyl N-phenylcarbamothioate | Butanoic acid, 3-oxo-, 2-methoxyethyl ester | SY049972 | BCP21149 | 2-Methoxyethylacetoacetate | 5-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

STL141089 | FT-0612839 | F0001-0791 | SCHEMBL410988 | DTXSID20177026 | AMY25617 | FT-0621770 | methoxyethyl acetoacetate | O-ethyl N-phenylcarbamothioate | Butanoic acid, 3-oxo-, 2-methoxyethyl ester | SY049972 | BCP21149 | 2-Methoxyethylacetoacetate | 5-

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

488186565

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186565

Kanonisches Lächeln

CC(=O)CC(=O)OCCOC

IUPAC Name

2-methoxyethyl 3-oxobutanoate

InChIKey

PLHCSZRZWOWUBW-UHFFFAOYSA-N

INCHI

1S/C7H12O4/c1-6(8)5-7(9)11-4-3-10-2/h3-5H2,1-2H3

Isomere SMILES

CC(=O)CC(=O)OCCOC

WGK Deutschland

3

Molekulargewicht

160.17

Beilstein

2079850

Reaxy-Rn

2079850

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079850&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Keto acids and derivatives
      • Subclass Beta-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Keto acids and derivatives
• Subclass: Beta-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta-keto acids and derivatives
• Alternative Parents: Fatty acid esters 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-keto acid - Fatty acid ester - 1,3-dicarbonyl compound - Fatty acyl - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Brechungsindex: 1.434
• Flammpunkt (°F): 103 °C
• Flammpunkt (°C): 103°C
• Siedepunkt (°C): 120°C
• Molekulargewicht: 160.170 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 160.074 Da
• Monoisotopic Mass: 160.074 Da
• Topological Polar Surface Area: 52.600 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

Häufig gestellte Fragen

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 room temperature.

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 22502-03-0, the molecular formula is C7H12O4, and the molecular weight is 160.17 g/mol. InChIKey PLHCSZRZWOWUBW-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.