Ethyl 4-acetylbutyrate - ≥98% , CAS No.13984-57-1

CAS: 13984-57-1 Cat. No.: E138206 Formula: CH₃CO(CH₂)₃CO₂C₂H₅ Peso molecolare: 158.19 Numero EC: 237-776-7

GRADE & PURITY ≥98%

Synonyms

AS-44005 | A885944 | FT-0626069 | Hexanoic acid, 5-oxo-, ethyl ester | Ethyl 4-acetylbutyrate | ETHYL4-ACETYLBUTYRATE | BKN | Ethyl 5-oxohexanoate | Ethyl 4-acetylbutanoate | ethyl 4-acetyl-butanoate | AKOS015915557 | Ethyl 4-acetylbutyrate, 98% | J-80037

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AS-44005 | A885944 | FT-0626069 | Hexanoic acid, 5-oxo-, ethyl ester | Ethyl 4-acetylbutyrate | ETHYL4-ACETYLBUTYRATE | BKN | Ethyl 5-oxohexanoate | Ethyl 4-acetylbutanoate | ethyl 4-acetyl-butanoate | AKOS015915557 | Ethyl 4-acetylbutyrate, 98% | J-80037

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488186221
• Sorrisi canonici: CCOC(=O)CCCC(=O)C
• IUPAC Name: ethyl 5-oxohexanoate
• InChIKey: MGPSIDGTLFKDEY-UHFFFAOYSA-N
• INCHI: 1S/C8H14O3/c1-3-11-8(10)6-4-5-7(2)9/h3-6H2,1-2H3
• Isomeri SMILES: CCOC(=O)CCCC(=O)C
• Peso molecolare: 158.19
• Reaxy-Rn: 1762625
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762625&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 69°C
• Punto di ebollizione (°C): 221-222°C
• Peso molecolare: 158.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 158.094 Da
• Monoisotopic Mass: 158.094 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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

Domande frequenti

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.

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 13984-57-1, the molecular formula is C8H14O3, and the molecular weight is 158.19 g/mol. InChIKey MGPSIDGTLFKDEY-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.