4-Ethylcyclohexanol (cis- and trans- mixture) - ≥97%(GC) , CAS No.4534-74-1

CAS: 4534-74-1 Cat. No.: E156092 Formula: C₈H₁₆O Peso molecolare: 128.22 Beilstein Registry Number: 6(2)26 Numero EC: 224-878-1

GRADE & PURITY ≥97%(GC)

Synonyms

E0768 | SCHEMBL10343976 | MFCD00070694 | D71246 | 4-Ethylcyclohexanol, cis- | (1s,4s)-4-ethylcyclohexanol | AS-48172 | SCHEMBL2208297 | (1R,4S)-4-ETHYLCYCLOHEXAN-1-OL | RVTKUJWGFBADIN-ZKCHVHJHSA-N | A826784 | BS-16844 | F19617 | trans-4-Ethyl cyclohexanol

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

E0768 | SCHEMBL10343976 | MFCD00070694 | D71246 | 4-Ethylcyclohexanol, cis- | (1s,4s)-4-ethylcyclohexanol | AS-48172 | SCHEMBL2208297 | (1R,4S)-4-ETHYLCYCLOHEXAN-1-OL | RVTKUJWGFBADIN-ZKCHVHJHSA-N | A826784 | BS-16844 | F19617 | trans-4-Ethyl cyclohexanol

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 508809330
• Sorrisi canonici: CCC1CCC(CC1)O
• IUPAC Name: 4-ethylcyclohexan-1-ol
• InChIKey: RVTKUJWGFBADIN-UHFFFAOYSA-N
• INCHI: 1S/C8H16O/c1-2-7-3-5-8(9)6-4-7/h7-9H,2-6H2,1H3
• Isomeri SMILES: CCC1CCC(CC1)O
• RTECS: GV9050000
• Peso molecolare: 128.22
• Beilstein: 6(2)26
• Reaxy-Rn: 2408797
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2408797&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: Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.46
• Punto di infiammabilità (°F): 77°C(lit.)
• Punto di infiammabilità (°C): 77°C(lit.)
• Peso molecolare: 128.210 g/mol
• XLogP3: 2.300
• 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: 72.600
• 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

Riferimenti

1. Baoyu Wang, Peng Zhou, Ximing Yan, Hu Li, Hongguo Wu, Zehui Zhang.  (2023)  Cooperative catalysis of Co single atoms and nanoparticles enables selective CAr−OCH3 cleavage for sustainable production of lignin-based cyclohexanols.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2022.12.020]