2-Ethyl-1,3-cyclopentanedione - ≥97% , CAS No.823-36-9

CAS: 823-36-9 Cat. No.: E156451 Summenformel: C₇H₁₀O₂ Molekulargewicht: 126.16 EG-Nummer: 212-512-3

GRADE & PURITY ≥97%

Synonyms

DTXSID60231671 | E0507 | EC 212-512-3 | SCHEMBL4501903 | EN300-1725973 | UNII-91A82TE3OS | EINECS 212-512-3 | Q27271392 | SY042427 | 2-ethyl-cyclopentane-1,3-dione | 2-Ethylcyclopentane-1,3-dione | 1,3-Cyclopentanedione, 2-ethyl- | 91A82TE3OS | AKOS006229

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

DTXSID60231671 | E0507 | EC 212-512-3 | SCHEMBL4501903 | EN300-1725973 | UNII-91A82TE3OS | EINECS 212-512-3 | Q27271392 | SY042427 | 2-ethyl-cyclopentane-1,3-dione | 2-Ethylcyclopentane-1,3-dione | 1,3-Cyclopentanedione, 2-ethyl- | 91A82TE3OS | AKOS006229

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504754470
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754470
• Kanonisches Lächeln: CCC1C(=O)CCC1=O
• IUPAC Name: 2-ethylcyclopentane-1,3-dione
• InChIKey: YDFBIBUYOUFJMR-UHFFFAOYSA-N
• INCHI: 1S/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3
• Isomere SMILES: CCC1C(=O)CCC1=O
• Molekulargewicht: 126.16
• Reaxy-Rn: 1860068
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1860068&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 1,3-dicarbonyl compounds
          • Ebene6 Beta-diketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: 1,3-dicarbonyl compounds
• Direct Parent: Beta-diketones
• Alternative Parents: Cyclic ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: 1,3-diketone - Cyclic ketone - Ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta-diketones. These are organic compounds containing two keto groups separated by a single 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

• Löslichkeit: Soluble in methanol (almost transparency).
• Empfindlichkeit: Heat sensitive
• Schmelzpunkt (°C): 175 °C
• Molekulargewicht: 126.150 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.068 Da
• Monoisotopic Mass: 126.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 133.000
• 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 ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 823-36-9, the molecular formula is C7H10O2, and the molecular weight is 126.16 g/mol. InChIKey YDFBIBUYOUFJMR-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.