2-Methoxycyclohexanone - ≥95%(GC) , CAS No.7429-44-9

CAS: 7429-44-9 Cat. No.: M158813 Summenformel: C₇H₁₂O₂ Molekulargewicht: 128.17 Beilstein Registry Number: 8(2)4 EG-Nummer: 231-071-8

GRADE & PURITY ≥95%(GC)

Synonyms

(+/-)-2-methoxycyclohexanone | EINECS 231-071-8 | SY051810 | (RS)-2-methoxycyclohexanone | 2-Methoxycyclohexanone | 2-Methoxy-cyclohexanone | racemic 2-methoxycyclohexanone | 7429-44-9-Deleted-CAS | AKOS009156954 | SCHEMBL181970 | DTXSID20864060 | FT-0643

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

product description：
The conformational equilibrium of 2-methoxycyclohexanone was studied by infrared spectroscopy.

application：

2-Methoxycyclohexanone was used in the synthesis of 2-(carbomethoxy)cyclohex-2-en-1-one.

Specifications

Synonyme

(+/-)-2-methoxycyclohexanone | EINECS 231-071-8 | SY051810 | (RS)-2-methoxycyclohexanone | 2-Methoxycyclohexanone | 2-Methoxy-cyclohexanone | racemic 2-methoxycyclohexanone | 7429-44-9-Deleted-CAS | AKOS009156954 | SCHEMBL181970 | DTXSID20864060 | FT-0643

Spezifikationen & Reinheit

≥95%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

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

Reinheit

≥95%(GC)

Namen und Kennungen

• Pubchem Sid: 508808478
• Kanonisches Lächeln: COC1CCCCC1=O
• IUPAC Name: 2-methoxycyclohexan-1-one
• InChIKey: JYJURPHZXCLFDX-UHFFFAOYSA-N
• INCHI: 1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
• Isomere SMILES: COC1CCCCC1=O
• WGK Deutschland: 3
• Molekulargewicht: 128.17
• Beilstein: 8(2)4
• Reaxy-Rn: 1906090
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906090&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Ether - Dialkyl ether - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• 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

• Empfindlichkeit: air sensitive
• Brechungsindex: 1.42
• Flammpunkt (°F): 156.2 °F
• Flammpunkt (°C): 69℃
• Siedepunkt (°C): 88°C/35.3mmHg
• Molekulargewicht: 128.169 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 109.000
• 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