3-Ethoxy-2-cyclohexen-1-one - ≥98%(GC) , CAS No.5323-87-5

CAS: 5323-87-5 Cat. No.: E156472 Fórmula: C₈H₁₂O₂ Peso molecular: 140.18 Beilstein Registry Number: 2042050 Número CE: 226-190-7

GRAU & PUREZA ≥98%(GC)

Synonyms

3-ethoxycyclohex-2-en-1-one | E0384 | NSC2826 | NSC-2826 | 3-Ethoxy-2-cyclohexenone, 99% | EINECS 226-190-7 | 3-Ethoxy-2-cyclohexenone | 3-ethoxy-2-cyclohexen-one | SY048535 | SCHEMBL99907 | 3-Ethoxycyclohex-2-ene-1-one | NSC 2826 | FT-0615623 | 3-(ethylo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

3-ethoxycyclohex-2-en-1-one | E0384 | NSC2826 | NSC-2826 | 3-Ethoxy-2-cyclohexenone, 99% | EINECS 226-190-7 | 3-Ethoxy-2-cyclohexenone | 3-ethoxy-2-cyclohexen-one | SY048535 | SCHEMBL99907 | 3-Ethoxycyclohex-2-ene-1-one | NSC 2826 | FT-0615623 | 3-(ethylo

Especificações e pureza

≥98%(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

≥98%(GC)

Nomes e identificadores

Pubchem Sid

504755354

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755354

Sorrisos canónicos

CCOC1=CC(=O)CCC1

IUPAC Name

3-ethoxycyclohex-2-en-1-one

InChIKey

JWCFJPLIRVYENQ-UHFFFAOYSA-N

INCHI

1S/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5H2,1H3

SMILES isoméricas

CCOC1=CC(=O)CCC1

WGK Alemanha

3

Peso molecular

140.18

Beilstein

2042050

Reaxy-Rn

2042049

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones
• Direct Parent: Cyclohexenones
• Alternative Parents: Vinylogous esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexenone - Vinylogous ester - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
• 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

• Solubilidade: Slightly soluble in water.
• Sensibilidade: Air Sensitive
• Índice de refração: 1.5020-1.5070
• Ponto de inflamação (°F): 224.6 °F
• Ponto de inflamação (°C): 107°C
• Ponto de ebulição (°C): 76-78 °C
• Peso molecular: 140.180 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.084 Da
• Monoisotopic Mass: 140.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 159.000
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °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 chilled on wet ice. 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 5323-87-5, the molecular formula is C8H12O2, and the molecular weight is 140.18 g/mol. InChIKey JWCFJPLIRVYENQ-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.