Ethyl 3-Oxoheptanoate - ≥95% , CAS No.7737-62-4

CAS: 7737-62-4 Cat. No.: E156266 Summenformel: C₉H₁₆O₃ Molekulargewicht: 172.22 EG-Nummer: 823-810-3

GRADE & PURITY ≥95%

Synonyms

Ethyl propylacetoacetate | 3-Oxoheptanoic Acid Ethyl Ester | 3-oxo-heptanoic acid ethyl ester | ethyl 3-oxo-n-heptanoate | Ethyl3-Oxoheptanoate | MANGANESEOCTOATE | MFCD00143188 | Ethyl 3-oxoheptanoate | Ethyl 3-oxo-heptanoate | 3-Oxoenanthic Acid Ethyl E

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Ethyl propylacetoacetate | 3-Oxoheptanoic Acid Ethyl Ester | 3-oxo-heptanoic acid ethyl ester | ethyl 3-oxo-n-heptanoate | Ethyl3-Oxoheptanoate | MANGANESEOCTOATE | MFCD00143188 | Ethyl 3-oxoheptanoate | Ethyl 3-oxo-heptanoate | 3-Oxoenanthic Acid Ethyl E

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488190291

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190291

Kanonisches Lächeln

CCCCC(=O)CC(=O)OCC

IUPAC Name

ethyl 3-oxoheptanoate

InChIKey

UKRVECBFDMVBPU-UHFFFAOYSA-N

INCHI

1S/C9H16O3/c1-3-5-6-8(10)7-9(11)12-4-2/h3-7H2,1-2H3

Isomere SMILES

CCCCC(=O)CC(=O)OCC

Molekulargewicht

172.22

Reaxy-Rn

1705170

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705170&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 Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - 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
• 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

• Brechungsindex: 1.43
• Flammpunkt (°C): 86 °C
• Siedepunkt (°C): 111°C/15mmHg(lit.)
• Molekulargewicht: 172.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 172.11 Da
• Monoisotopic Mass: 172.11 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 152.000
• 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 ≥95% 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 7737-62-4, the molecular formula is C9H16O3, and the molecular weight is 172.22 g/mol. InChIKey UKRVECBFDMVBPU-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.