1-Ethylcyclohexanol - ≥98%(GC) , CAS No.1940-18-7

CAS: 1940-18-7 Cat. No.: E156065 Fórmula: C₈H₁₆O Peso molecular: 128.22 Número CE: 621-537-2

GRADE & PURITY ≥98%(GC)

Synonyms

1-ethyl-1-cyclohexanol | 1-ethyl-1-hydroxycyclohexane | ?1-Ethylcyclohexanol | 1-Aethyl-cyclohexanol-(1) | SCHEMBL43020 | AS-57247 | 1-ETHYLCYCLOHEXANOL | 1-ethyl-cyclohexanol | Cyclohexanol, 1-ethyl- | I11478 | ethylcyclohexanol | Q27252948 | 2,3,4,6-Tet

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

1-ethyl-1-cyclohexanol | 1-ethyl-1-hydroxycyclohexane | ?1-Ethylcyclohexanol | 1-Aethyl-cyclohexanol-(1) | SCHEMBL43020 | AS-57247 | 1-ETHYLCYCLOHEXANOL | 1-ethyl-cyclohexanol | Cyclohexanol, 1-ethyl- | I11478 | ethylcyclohexanol | Q27252948 | 2,3,4,6-Tet

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C

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: 504752726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752726
• Sorrisos canónicos: CCC1(CCCCC1)O
• IUPAC Name: 1-ethylcyclohexan-1-ol
• InChIKey: BUCJHJXFXUZJHL-UHFFFAOYSA-N
• INCHI: 1S/C8H16O/c1-2-8(9)6-4-3-5-7-8/h9H,2-7H2,1H3
• SMILES isoméricas: CCC1(CCCCC1)O
• RTECS: GV9040000
• Peso molecular: 128.22
• Reaxy-Rn: 2203222
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2203222&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Tertiary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

• Índice de refração: 1.47
• Ponto de inflamação (°C): 68 °C
• Ponto de ebulição (°C): 168°C(lit.)
• Peso molecular: 128.210 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.12 Da
• Monoisotopic Mass: 128.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 82.600
• 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