1-Ethyl-4-methylcyclohexane (cis- and trans- mixture) - ≥95% , CAS No.3728-56-1

CAS: 3728-56-1 Cat. No.: E156248 Fórmula: C₉H₁₈ Peso molecular: 126.24 Número EC: 679-945-1

CALIDAD & PUREZA ≥95%

Synonyms

CYISMTMRBPPERU-DTORHVGOSA-N | 1-Ethyl-4-methylcyclohexane | 1-ethyl-4-methyl-cyclohexane | cis-1-ethyl-4-methycyclohexane | 1-Ethyl-4-methylcyclohexane trans- | T72381 | 1-Ethyl-4-methylcyclohexane cis- | Cis-1-ethyl-4-methyl cyclohexane | AKOS006274116 |

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

CYISMTMRBPPERU-DTORHVGOSA-N | 1-Ethyl-4-methylcyclohexane | 1-ethyl-4-methyl-cyclohexane | cis-1-ethyl-4-methycyclohexane | 1-Ethyl-4-methylcyclohexane trans- | T72381 | 1-Ethyl-4-methylcyclohexane cis- | Cis-1-ethyl-4-methyl cyclohexane | AKOS006274116 |

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

508807283

Sonrisas canónicas

CCC1CCC(CC1)C

IUPAC Name

1-ethyl-4-methylcyclohexane

InChIKey

CYISMTMRBPPERU-UHFFFAOYSA-N

INCHI

1S/C9H18/c1-3-9-6-4-8(2)5-7-9/h8-9H,3-7H2,1-2H3

Isómeros SMILES

CCC1CCC(CC1)C

Peso molecular

126.24

Reaxy-Rn

1071206

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1071206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Saturated hydrocarbons
      • Subclass Cycloalkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Saturated hydrocarbons
• Subclass: Cycloalkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cycloalkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkane - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.43
• Punto de ebullición (°C): 151°C(lit.)
• Peso molecular: 126.240 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 126.141 Da
• Monoisotopic Mass: 126.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 68.100
• 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