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

CAS: 7429-44-9 Cat. No.: M158813 Fórmula: C₇H₁₂O₂ Peso molecular: 128.17 Beilstein Registry Number: 8(2)4 Número CE: 231-071-8

GRAU & PUREZA ≥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

Visão geral

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.

Especificações

Sinónimos

(+/-)-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

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

508808478

Sorrisos canónicos

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

SMILES isoméricas

COC1CCCCC1=O

WGK Alemanha

3

Peso molecular

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: air sensitive
• Índice de refração: 1.42
• Ponto de inflamação (°F): 156.2 °F
• Ponto de inflamação (°C): 69℃
• Ponto de ebulição (°C): 88°C/35.3mmHg
• Peso molecular: 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