1-Ethynyl-1-cyclohexanol - ≥98% , CAS No.78-27-3

CAS: 78-27-3 Cat. No.: E124588 Fórmula: C₈H₁₂O Peso molecular: 124.18 Beilstein Registry Number: 471404 Número EC: 201-100-9

GRADE & PURITY ≥98%

Synonyms

1-Ethynyl-1-cyclohexanol, >=99% | 1-Hydroxy-1-ethynylcyclohexane | 1-ethynylcyclohexane-1-ol | F8883-8239 | J-504613 | EINECS 201-100-9 | SCHEMBL36060 | UNII-6RV04025EH | AKOS009156705 | N11899 | AI3-07064 | 1-Ethynyl-1-cyclohexanol | A3540 | WLN: L6TJ AQ

Storage

Room temperature

Shipped In

Normal

Descripción general

Application：

1-Ethynylcyclohexanol is used in organic synthesis, pharmaceuticals and agrochemicals.

Specifications

Sinónimos

1-Ethynyl-1-cyclohexanol, >=99% | 1-Hydroxy-1-ethynylcyclohexane | 1-ethynylcyclohexane-1-ol | F8883-8239 | J-504613 | EINECS 201-100-9 | SCHEMBL36060 | UNII-6RV04025EH | AKOS009156705 | N11899 | AI3-07064 | 1-Ethynyl-1-cyclohexanol | A3540 | WLN: L6TJ AQ

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180086
• Sonrisas canónicas: C#CC1(CCCCC1)O
• IUPAC Name: 1-ethynylcyclohexan-1-ol
• InChIKey: QYLFHLNFIHBCPR-UHFFFAOYSA-N
• INCHI: 1S/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H2
• Isómeros SMILES: C#CC1(CCCCC1)O
• WGK Alemania: 1
• RTECS: GV9100000
• Peso molecular: 124.18
• Beilstein: 471404
• Reaxy-Rn: 471404
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471404&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: Ynones Tertiary alcohols Cyclic alcohols and derivatives Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Ynone - Tertiary alcohol - Cyclic alcohol - Acetylide - 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (10g/L at 20°C), diethyl ether, alcohols, esters, and ketone.
• Índice de refracción: 1.483
• Punto de inflamación (°F): 163.4 °F
• Punto de inflamación (°C): 73°C(163°F)
• Punto de ebullición (°C): 174°C
• Punto de fusión (°C): 28.0-33.0°C
• Peso molecular: 124.180 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.089 Da
• Monoisotopic Mass: 124.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 134.000
• 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. Qiangqiang Ma, Chenxu Zhang, Linlin Ren, Xiaoliang Zeng, Jian-Bin Xu, Rong Sun, Yimin Yao.  (2023)  Modulating Surface Chemistry of Al Powders for Elastomeric Composites with Applications in Electronic Cooling.  Advanced Materials Interfaces,  10  (10): (2201315).  [PMID:] [10.1002/admi.202201315]

2. Zhengyuan Zhang, Yu Liu, Xiaochuan Shui, Youqing Yu, Chunyan Zheng, Yuechuan Wang.  (2021)  Free radical polymerization of acrylates bearing acetylene for preparation of clickable polymers.  POLYMER,      [PMID:] [10.1016/j.polymer.2021.123906]

3. Zhenzhen Ou, Feng Gao, Huaijun Zhao, Shumeng Dang, Lingjian Zhu.  (2019)  Research on the thermal conductivity and dielectric properties of AlN and BN co-filled addition-cure liquid silicone rubber composites.  RSC Advances,  9  (49): (28851-28856).  [PMID:35529667] [10.1039/C9RA04771A]

4. Jianan Song, Guangxing Huang, Feng Wei, Jiajia Meng, Kan Zhang.  (2024)  High-Performance Flexible Strain Sensors: The Role of In-Situ Cross-Linking and Interface Engineering in Liquid Metal–Carbon Nanotube-PDMS Composites.  ACS Applied Materials & Interfaces,      [PMID:39704192] [10.1021/acsami.4c17983]

5. Qiang Feng, Yang Pan, Ke Lei, Lanlan Wu, Jiang Li, Jie Zhang, Shaoyun Guo.  (2025)  Diethyl-modified polydimethylsiloxane polymer-fluid-gels: Breakthrough of damping limits at ultra-low temperatures or ultra-high frequencies.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.162167]

6. Shipeng Yuan, Peilong Jiang, Guiyou Zhu, Jianwei Guo.  (2025)  Influence of Alkynyl Phosphite Ligands on the Curing of Pt(0)-Catalyzed Preparation of One-Component Silicone Rubber.  ChemistrySelect,  10  (13): (e202405461).  [PMID:] [10.1002/slct.202405461]

7. Yun Fang, Yong Yan, Xiayan Wang, Guangsheng Guo.  (2025)  Bimetallic PdCu nanohybrid sheets for enhanced electrocatalytic selective semi-hydrogenation of alkynols.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164620]

8. Jiabao Feng, Hong Zhu, Yadong Lv, Qi Yang, Guangxian Li, Miqiu Kong, Wei Pu.  (2025)  Gecko-Inspired Adhesive for Robotic Grippers with Excellent Ultra-Low-Temperature Adhesion Performance.  Advanced Science,      [PMID:41237381] [10.1002/advs.202515084]