1-Ethyl-3-methylcyclohexane (cis- and trans- mixture) - ≥98% , CAS No.3728-55-0

CAS: 3728-55-0 Cat. No.: E156078 Summenformel: C₉H₁₈ Molekulargewicht: 126.24 EG-Nummer: 679-948-8

GRADE & PURITY ≥98%

Synonyms

FT-0725515 | 1-Ethyl-3-methylcyclohexane (cis,trans)- | E0423 | 1-Ethyl-3-methylcyclohexane | Cyclohexane, 1-ethyl-3-methyl- | UDDVMPHNQKRNNS-UHFFFAOYSA-N | DTXSID70864893 | 1-ethyl-trans-3-methylcyclohexane | 1-methyl-3-ethylcyclohexane | MFCD00045510 |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

FT-0725515 | 1-Ethyl-3-methylcyclohexane (cis,trans)- | E0423 | 1-Ethyl-3-methylcyclohexane | Cyclohexane, 1-ethyl-3-methyl- | UDDVMPHNQKRNNS-UHFFFAOYSA-N | DTXSID70864893 | 1-ethyl-trans-3-methylcyclohexane | 1-methyl-3-ethylcyclohexane | MFCD00045510 |

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504753541

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753541

Kanonisches Lächeln

CCC1CCCC(C1)C

IUPAC Name

1-ethyl-3-methylcyclohexane

InChIKey

UDDVMPHNQKRNNS-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

CCC1CCCC(C1)C

Molekulargewicht

126.24

Reaxy-Rn

1900485

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900485&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.43
• Flammpunkt (°C): 32 °C
• Siedepunkt (°C): 150°C(lit.)
• Molekulargewicht: 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: 76.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1