1,8-Octanoditiol - ≥98% , CAS No.1191-62-4

CAS: 1191-62-4 Cat. No.: O109630 Peso molecular: 178.36 Número EC: 214-738-8

GRADE & PURITY ≥98%

Synonyms

O0374 | FEMA No. 3514 | SCHEMBL63238 | MFCD00003574 | Q27282247 | Tox21_303621 | CHEBI:172319 | Octano-1,8-ditiol | 1,8-Dimercaptooctano | OCTANEDIOL, 1,8- | 1,8-Octametilenditiol | AKOS015897631 | 1,8-Octaneditiol, >=97%, FG | 1,8-OCTANEDIOL [

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Descripción general

Introducción del producto

el 1,8-Octanoditiol (OCT) es un alcanotiol que forma una monocapa autoensamblada (SAM) sobre diversas superficies metálicas. El OCT contiene enlaces carbono-carbono (C-C) dispuestos linealmente y dos átomos de azufre en el extremo que facilitan la unión con los átomos superficiales de los sustratos. Forma principalmente un sistema organometálico, que puede utilizarse para mejorar el medio de transporte de electrones para una amplia gama de aplicaciones electrónicas.

Aplicación

El OCT puede utilizarse como aditivo de procesado que puede funcionalizar la capa de electrodos para mejorar la eficiencia energética de las células solares de P3HT:PCBM. También puede utilizarse para formar una SAM sobre electrodos de oro para mejorar las propiedades electroquímicas.

Specifications

Sinónimos

O0374 | FEMA No. 3514 | SCHEMBL63238 | MFCD00003574 | Q27282247 | Tox21_303621 | CHEBI:172319 | Octano-1, 8-ditiol | 1, 8-Dimercaptooctano | OCTANEDIOL, 1, 8- | 1, 8-Octametilenditiol | AKOS015897631 | 1, 8-Octaneditiol, >=97%, FG | 1, 8-OCTANEDIOL [

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C(CCCCS)CCCS
• IUPAC Name: octane-1,8-dithiol
• InChIKey: PGTWZHXOSWQKCY-UHFFFAOYSA-N
• INCHI: 1S/C8H18S2/c9-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
• Isómeros SMILES: C(CCCCS)CCCS
• WGK Alemania: 3
• RTECS: RG9610000
• Peso molecular: 178.36
• Reaxy-Rn: 1735431
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735431&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• 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

Propiedades químicas y físicas

• Sensibilidad: Air sensitive
• Índice de refracción: 1.503-1.505
• Punto de inflamación (°F): 235.4℉
• Punto de inflamación (°C): 113°C
• Punto de ebullición (°C): 269-270°C
• Punto de fusión (°C): 1°C
• Peso molecular: 178.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 178.085 Da
• Monoisotopic Mass: 178.085 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 47.200
• 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

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2. Yunfan Xu, Mengdong Guo, Shilong Lu, Zengyue Wei, Shengyu Feng.  (2022)  Synthesis and characterization of novel poly(sulfone siloxane)s with good solubility and recyclability based on siloxane units.  NEW JOURNAL OF CHEMISTRY,  46  (21): (10237-10245).  [PMID:] [10.1039/D2NJ00934J]

3. Wei-Long Xu, Fei Zheng, Jia-Li He, Meng-Qi Zhu, Xiao-Tao Hao.  (2015)  Quantifying phase separation and interfacial area in organic photovoltaic bulk heterojunction processed with solvent additives.  CHEMICAL PHYSICS,      [PMID:] [10.1016/j.chemphys.2015.05.012]

4. Bo Zhao, Yaochen Zheng, Zhulin Weng, Shengying Cai, Chao Gao.  (2015)  The electrophilic effect of thiol groups on thiol–yne thermal click polymerization for hyperbranched polythioether.  Polymer Chemistry,  6  (20): (3747-3753).  [PMID:] [10.1039/C5PY00307E]

5. Pengfei Chen, Yinyu Zhang, Ping Zhang, Xiuli Zhao, Yeping Wu.  (2024)  Mussel-inspired catechol prepolymers as surface primer for enhanced interface bonding to high-performance thermoplastics.  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127254]

6. Yuwei Pu, Ruiru Liu, Mingjin Li, Xiao Wang, Zhenfu Zhao, Ziyang Hu.  (2025)  Dual-Strategy Engineering: Mg2+ Doping and In Situ Liquid Ligand Passivation for High-Performance Pure Red Perovskite LEDs.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202501902]

7. Yujie Xie, Yeping Wu, Xiuli Zhao, Gaoming Li, Ping Zhang, Yinyu Zhang.  (2026)  Synergistic enhancement of PEEK bonding performance and thermal shock resistance through combined surface treatment.  CHEMICAL ENGINEERING SCIENCE,      [PMID:] [10.1016/j.ces.2026.123397]