2-Acetylcyclohexanon - ≥97%(GC) , CAS No.874-23-7

CAS: 874-23-7 Cat. No.: A151668 Summenformel: C₈H₁₂O₂ Molekulargewicht: 140.18 EG-Nummer: 212-858-5

GRADE & PURITY ≥97%(GC)

Synonyms

AKOS005206863 | NSC 7713 | NSC7713 | NSC-7713 | AI3-19261 | Tox21_202874 | CAS-874-23-7 | AM9964 | 2-Acetylcyclohexanone, 97% | 2-ACETYLCYCLOHEXANONE | 2-acetyl-cyclohexanone | 2-Acetyl-1-cyclohexanone | DTXSID0049365 | FT-0610974 | AC-22529 | SC11832 | 2

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Der Keto-Enol-Tautomerismus von 2-Acetylcyclohexanon (ACHE) in Wasser wurde untersucht.
2-Acetylcyclohexanon wurde für die Synthese von Anilinoethanolaminen verwendet.

Specifications

Synonyme

AKOS005206863 | NSC 7713 | NSC7713 | NSC-7713 | AI3-19261 | Tox21_202874 | CAS-874-23-7 | AM9964 | 2-Acetylcyclohexanone, 97% | 2-ACETYLCYCLOHEXANONE | 2-acetyl-cyclohexanone | 2-Acetyl-1-cyclohexanone | DTXSID0049365 | FT-0610974 | AC-22529 | SC11832 | 2

Spezifikationen & Reinheit

≥97%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%(GC)

Namen und Kennungen

Pubchem Sid

508808035

Kanonisches Lächeln

CC(=O)C1CCCCC1=O

IUPAC Name

2-acetylcyclohexan-1-one

InChIKey

OEKATORRSPXJHE-UHFFFAOYSA-N

INCHI

1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3

Isomere SMILES

CC(=O)C1CCCCC1=O

WGK Deutschland

3

Molekulargewicht

140.18

Reaxy-Rn

1858621

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1858621&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: a small molecule

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: Not miscible in water.
• Empfindlichkeit: Air sensitive
• Brechungsindex: 1.5090 to 1.5110
• Flammpunkt (°F): 174.2 °F
• Flammpunkt (°C): 79°C
• Siedepunkt (°C): 111-112 °C/18 mmHg
• Molekulargewicht: 140.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.084 Da
• Monoisotopic Mass: 140.084 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 161.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1