Dodecamethylcyclohexasiloxane - ≥97%(GC) , CAS No.540-97-6

CAS: 540-97-6 Cat. No.: D154405 Peso molecular: 444.92 Beilstein Registry Number: 4(4)4129 Número EC: 208-762-8

GRADE & PURITY ≥97%(GC)

Synonyms

XHK3U310BA | DTXSID6027183 | MFCD00144215 | InChI=1/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3 | CYCLOHEXASILOXANE [INCI] | FT-0625566 | IUMSDRXLFWAGNT-UHFFFAOYSA- | AKOS015839990 | CYCLOMETHICONE 6 [USP-RS] | S

Storage

Room temperature

Shipped In

Normal

Descripción general

Dodecamethylcyclohexasiloxane belonging to the class of cyclic volatile methylsiloxanes is identified as a potent environmental contaminant, most prominently found in biota, biosolid samples, soil, sediment samples, wastewaters, etc. These compounds are used as fragrance carriers or solvents in household products, personal care products, cleaning agents and as precursors in the manufacture of silicone polymers.

Specifications

Sinónimos

XHK3U310BA | DTXSID6027183 | MFCD00144215 | InChI=1/C12H36O6Si6/c1-19(2)13-20(3, 4)15-22(7, 8)17-24(11, 12)18-23(9, 10)16-21(5, 6)14-19/h1-12H3 | CYCLOHEXASILOXANE [INCI] | FT-0625566 | IUMSDRXLFWAGNT-UHFFFAOYSA- | AKOS015839990 | CYCLOMETHICONE 6 [USP-RS] | S

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488181222
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181222
• Sonrisas canónicas: C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C
• IUPAC Name: 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane
• InChIKey: IUMSDRXLFWAGNT-UHFFFAOYSA-N
• INCHI: 1S/C12H36O6Si6/c1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h1-12H3
• Isómeros SMILES: C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C
• WGK Alemania: 3
• RTECS: GW2328550
• Peso molecular: 444.92
• Beilstein: 4(4)4129
• Reaxy-Rn: 1806235
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1806235&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Clase Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Clase: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Organoheterosilanes
• Alternative Parents: Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organoheterosilanes. These are organosilicon compounds where the tetravalent silicon atom is linked to one or more heteroatoms.
• 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: light sensitive
• Índice de refracción: 1.4
• Punto de inflamación (°C): 105°C(lit.)
• Punto de ebullición (°C): 245°C
• Peso molecular: 444.920 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 444.113 Da
• Monoisotopic Mass: 444.113 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 320.000
• 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

Referencias

1. Yuan Yang, Yao Wang, Xiaoling Hou, Yao Lin, Lu Yang, Xiandeng Hou, Chengbin Zheng.  (2020)  Can low-temperature point discharge Be used as atomic emission source for sensitive determination of cyclic volatile methylsiloxanes?.  ANALYTICA CHIMICA ACTA,      [PMID:32534664] [10.1016/j.aca.2020.05.030]

2. Xiaoqian Lv, Shuxin Tu, Huanyu Liu, Lin Cai.  (2025)  Organosilicon-mediated interfacial behavior of cadmium on ultisols clay colloids: Kinetics, thermodynamics, and complexation mechanisms for soil remediation.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2025.129111]