Ethyl 2,4-dioxoheptanoate - ≥96% , CAS No.36983-31-0

CAS: 36983-31-0 Cat. No.: E123031 Formula: C₉H₁₄O₄ Peso molecolare: 186.21 Numero EC: 191-978-9

GRADE & PURITY ≥96%

Synonyms

ethyl 2,4-dioxoheptanoate|36983-31-0|2,4-Dioxoheptanoic acid ethyl ester|ETHYL2,4-DIOXOHEPTANOATE|ethyl 3-butyrylpyruvate|2,4-DIOXO-HEPTANOIC ACID ETHYL ESTER|SCHEMBL1179018|DTXSID70388307|DMAUJRWSYKLVHX-UHFFFAOYSA-N|MFCD08700411|AKOS000136212|CS-W016908|

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

ethyl 2,4-dioxoheptanoate | 36983-31-0 | 2,4-Dioxoheptanoic acid ethyl ester | ETHYL2,4-DIOXOHEPTANOATE | ethyl 3-butyrylpyruvate | 2,4-DIOXO-HEPTANOIC ACID ETHYL ESTER | SCHEMBL1179018 | DTXSID70388307 | DMAUJRWSYKLVHX-UHFFFAOYSA-N | MFCD08700411 | AKOS000136212 | CS-W016908 |

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 504762285
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762285
• Sorrisi canonici: CCCC(=O)CC(=O)C(=O)OCC
• IUPAC Name: ethyl 2,4-dioxoheptanoate
• InChIKey: DMAUJRWSYKLVHX-UHFFFAOYSA-N
• INCHI: 1S/C9H14O4/c1-3-5-7(10)6-8(11)9(12)13-4-2/h3-6H2,1-2H3
• Isomeri SMILES: CCCC(=O)CC(=O)C(=O)OCC
• Peso molecolare: 186.21
• Reaxy-Rn: 608031
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608031&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Gamma-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Gamma-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-Acylpyruvic acids
• Alternative Parents: Fatty acid esters Beta-diketones Alpha-keto acids and derivatives Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 3-acylpyruvic acid - 1,3-diketone - Fatty acid ester - Alpha-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 228-232°C
• Peso molecolare: 186.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 186.089 Da
• Monoisotopic Mass: 186.089 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 208.000
• 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

How should this product be stored?

Store at room temperature.

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 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 36983-31-0, the molecular formula is C9H14O4, and the molecular weight is 186.21 g/mol. InChIKey DMAUJRWSYKLVHX-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.