Octaphenylcyclotetrasiloxane - ≥98% , CAS No.546-56-5

CAS: 546-56-5 Cat. No.: O122439 Molecular Weight: 793.19 Beilstein Registry Number: 2320758 EC Number: 208-904-9

GRADE & PURITY ≥98%

Synonyms

H10293 | MFCD00003268 | octaphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane | FT-0696011 | 2,2,4,4,6,6,8,8-octa(phenyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocane | NSC 293057 | Octaphenyltetracyclosiloxane | NSC293057 | NSC-293057 | Ctaphenylcyclotetrasiloxane |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

H10293 | MFCD00003268 | octaphenyl-1, 3, 5, 7, 2, 4, 6, 8-tetraoxatetrasilocane | FT-0696011 | 2, 2, 4, 4, 6, 6, 8, 8-octa(phenyl)-1, 3, 5, 7, 2, 4, 6, 8-tetraoxatetrasilocane | NSC 293057 | Octaphenyltetracyclosiloxane | NSC293057 | NSC-293057 | Ctaphenylcyclotetrasiloxane |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184127
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184127
• Canonical Smiles: C1=CC=C(C=C1)[Si]2(O[Si](O[Si](O[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
• IUPAC Name: 2,2,4,4,6,6,8,8-octakis-phenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• InChIKey: VSIKJPJINIDELZ-UHFFFAOYSA-N
• INCHI: 1S/C48H40O4Si4/c1-9-25-41(26-10-1)53(42-27-11-2-12-28-42)49-54(43-29-13-3-14-30-43,44-31-15-4-16-32-44)51-56(47-37-21-7-22-38-47,48-39-23-8-24-40-48)52-55(50-53,45-33-17-5-18-34-45)46-35-19-6-20-36-46/h1-40H
• Isomeric SMILES: C1=CC=C(C=C1)[Si]2(O[Si](O[Si](O[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9
• RTECS: GZ4398500
• Molecular Weight: 793.19
• Beilstein: 2320758
• Reaxy-Rn: 2320758
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2320758&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organoheterosilanes Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organosilicon compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Chemical and Physical Properties

• Solubility: Solubility in Toluene very faint turbidity
• Flash Point(°F): 392°F
• Flash Point(°C): 200°C
• Boil Point(°C): 332°C/1mm
• Melt Point(°C): 201°C
• Molecular Weight: 793.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 792.2 Da
• Monoisotopic Mass: 792.2 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 905.000
• 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

XLogP3

References

1. Xirong Xu, Weihao Yuan, Pengxiang Liu, Li Liu, Yudong Huang, Zhen Hu.  (2023)  Healable carbon fiber reinforced epoxy composites: Synchronous healing of matrix and interface damage.  POLYMER COMPOSITES,  44  (6): (3095-3105).  [PMID:] [10.1002/pc.27304]

2. Jiaqi Lou, Yimeng Yang, Chengji Zhao.  (2024)  Humidity sensors based on octaphenylcyclotetrasiloxane hypercrosslinked porous polymers for non-contact sensing and respiratory monitoring.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2024.136478]

3. Shengqiang Wang, Zhenbo Peng, Yanhua Huang, Mingquan Zhu, Yayun Liu, Yong Zhang.  (2024)  Synthesis, characterization and properties of vinyl-terminated poly[dimethylsiloxane-co-methyl(phenyl)siloxane].  POLYMER,      [PMID:] [10.1016/j.polymer.2024.127554]

4. Jian Gao, Jialin Zhao, Shiyao Sun, Yijia Lei, Na Li, Jingyi Wu, Qianlong Wang, Yifang Chang, Jiayao Yang, Zhe Wang.  (2025)  Microporous poly(aryl piperidinium) hydroxide exchange membranes with multi-directional branched structure for high performance fuel cells.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40286404] [10.1016/j.jcis.2025.137676]

5. Ziwen Sun, Quan Yuan, Liwei Yan, Junyu Lu, Weiyi Ding, Yang Chen, Huawei Zou.  (2025)  PEDOT/PSS Heterointerface Enables Integrated Electromagnetic Wave Absorption and Thermal Protection in Aerogel Composite.  ACS Applied Materials & Interfaces,      [PMID:40833761] [10.1021/acsami.5c10811]

6. 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]

7. Xiaohua Xu, Lin Hao, Weihua Liu, Qianqian Wang, Shuofeng Li, Chun Wang, Qiuhua Wu, Zhi Wang.  (2026)  Hybrid organic-inorganic porous material for efficient extraction of phenolic pollutants.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:41734483] [10.1016/j.chroma.2026.466817]