trans-4-Propylcyclohexanol - ≥95%(GC) , CAS No.77866-58-1

CAS: 77866-58-1 Cat. No.: T162749 Summenformel: C₉H₁₈O Molekulargewicht: 142.24 Beilstein Registry Number: 6(3)106 EG-Nummer: 616-534-8 PubChem CID: 2775094

GRADE & PURITY ≥95%(GC)

Synonyms

CDA86658 | TS-01852 | YVPZFPKENDZQEJ-KYZUINATSA-N | EN300-215078 | FT-0619441 | trans-4-Propylcyclohexanol | SCHEMBL4602788 | YVPZFPKENDZQEJ-UHFFFAOYSA-N | AKOS006309033 | Cyclohexanol, 4-propyl- | 4-propylcyclohexan-1-ol | BS-23872 | SCHEMBL527613 | AKOS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

CDA86658 | TS-01852 | YVPZFPKENDZQEJ-KYZUINATSA-N | EN300-215078 | FT-0619441 | trans-4-Propylcyclohexanol | SCHEMBL4602788 | YVPZFPKENDZQEJ-UHFFFAOYSA-N | AKOS006309033 | Cyclohexanol, 4-propyl- | 4-propylcyclohexan-1-ol | BS-23872 | SCHEMBL527613 | AKOS

Spezifikationen & Reinheit

≥95%(GC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

Kanonisches Lächeln

CCCC1CCC(CC1)O

IUPAC Name

4-propylcyclohexan-1-ol

InChIKey

YVPZFPKENDZQEJ-UHFFFAOYSA-N

INCHI

1S/C9H18O/c1-2-3-8-4-6-9(10)7-5-8/h8-10H,2-7H2,1H3

Isomere SMILES

CCCC1CCC(CC1)O

PubChem CID

2775094

Molekulargewicht

142.24

Beilstein

6(3)106

Reaxy-Rn

3231252

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols
        • Ebene5 Secondary alcohols
          • Ebene6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: 1.46
• Flammpunkt (°C): 80 °C
• Siedepunkt (°C): 208°C(lit.)
• Molekulargewicht: 142.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 142.136 Da
• Monoisotopic Mass: 142.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 82.700
• 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