trans-4-tert-Butylcyclohexanol - ≥95%(GC) , CAS No.21862-63-5

CAS: 21862-63-5 Cat. No.: T161560 Peso molecular: 156.27 Número EC: 700-127-8

GRADE & PURITY ≥95%(GC)

Synonyms

EINECS 213-321-8 | NCGC00164215-01 | SB84138 | BCP30881 | Cyclohexanol, 4-tert-butyl-, cis- | DTXCID606623 | STL199047 | Tox21_201515 | NCGC00259065-01 | (E)-4-tert-Butylcyclohexanol | FT-0687850 | L5067JRJ73 | 4-(tert-Butyl)cyclohexanol | AKOS015837822 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

EINECS 213-321-8 | NCGC00164215-01 | SB84138 | BCP30881 | Cyclohexanol, 4-tert-butyl-, cis- | DTXCID606623 | STL199047 | Tox21_201515 | NCGC00259065-01 | (E)-4-tert-Butylcyclohexanol | FT-0687850 | L5067JRJ73 | 4-(tert-Butyl)cyclohexanol | AKOS015837822 |

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(GC)

Nombres e identificadores

• Pubchem Sid: 488180407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180407
• Sonrisas canónicas: CC(C)(C)C1CCC(CC1)O
• IUPAC Name: 4-tert-butylcyclohexan-1-ol
• InChIKey: CCOQPGVQAWPUPE-UHFFFAOYSA-N
• INCHI: 1S/C10H20O/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9,11H,4-7H2,1-3H3
• Isómeros SMILES: CC(C)(C)C1CCC(CC1)O
• Peso molecular: 156.27
• Reaxy-Rn: 1902277
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902277&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 80 °C
• Peso molecular: 156.260 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.151 Da
• Monoisotopic Mass: 156.151 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 115.000
• 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

Referencias

1. Lu Wang, Weili Deng, Peng Wang, Wencheng Huang, Jiamin Wu, Tingyu Zheng, Jiebo Chen.  (2020)  Degradations of aroma characteristics and changes of aroma related compounds, PPO activity, and antioxidant capacity in sugarcane juice during thermal process.  JOURNAL OF FOOD SCIENCE,  85  (4): (1140-1150).  [PMID:32220139] [10.1111/1750-3841.15108]

2. Wenyuan Pang, Qinyuan Fu, Caixia Xu, Chunyan Zhang, Lu Wang, Shoujing Zheng, Jie Pang, Jiebo Chen.  (2025)  Analysis key aroma compounds based on the aroma quality and infusion durability of jasmine tea.  FOOD CHEMISTRY,      [PMID:39884225] [10.1016/j.foodchem.2025.143018]