trans-1,4-Dimethylcyclohexane - ≥95%(GC) , CAS No.2207-04-7

CAS: 2207-04-7 Cat. No.: T161837 Fórmula: C₈H₁₆ Peso molecular: 112.22 Beilstein Registry Number: 5(4)123 Número CE: 218-622-8

GRADE & PURITY ≥95%(GC)

Synonyms

417GE5869Y | AS-46786 | D89704 | 1,4-Dimethylcyclohexane, trans- | CYCLOHEXANE, 1,4-DIMETHYL-, (E) | D89914 | AKOS015915844 | DTXSID5075284 | Cyclohexane, 1,4-dimethyl-, cis- | MFCD00064174 | cis-p-hexahydroxylene | 1,cis-4-Dimethylcyclohexane | QRMPKOFEU

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

417GE5869Y | AS-46786 | D89704 | 1,4-Dimethylcyclohexane, trans- | CYCLOHEXANE, 1,4-DIMETHYL-, (E) | D89914 | AKOS015915844 | DTXSID5075284 | Cyclohexane, 1,4-dimethyl-, cis- | MFCD00064174 | cis-p-hexahydroxylene | 1,cis-4-Dimethylcyclohexane | QRMPKOFEU

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

504752150

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752150

Sorrisos canónicos

CC1CCC(CC1)C

IUPAC Name

1,4-dimethylcyclohexane

InChIKey

QRMPKOFEUHIBNM-UHFFFAOYSA-N

INCHI

1S/C8H16/c1-7-3-5-8(2)6-4-7/h7-8H,3-6H2,1-2H3

SMILES isoméricas

CC1CCC(CC1)C

Peso molecular

112.22

Beilstein

5(4)123

Reaxy-Rn

969181

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969181&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Descrição: This compound belongs to the class of organic compounds known as cycloalkanes. These are saturated monocyclic hydrocarbons (with or without side chains).
• External Descriptors: Hydrocarbons

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: 1.42
• Ponto de inflamação (°F): 6°C(lit.)
• Ponto de inflamação (°C): 6°C(lit.)
• Ponto de ebulição (°C): 119°C
• Peso molecular: 112.210 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 112.125 Da
• Monoisotopic Mass: 112.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 48.400
• 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