Octamethylcyclotetrasiloxane (D4) - ≥98%(GC) , CAS No.556-67-2

CAS: 556-67-2 Cat. No.: O160041 Molecular Weight: 296.62 Beilstein Registry Number: 4(3)1885 EC Number: 209-136-7

GRADE & PURITY ≥98%(GC)

Synonyms

D4 | CYCLOMETHICONE 4 [USP-RS] | OCTAMETHYCYCLOTETRASILOXANE | SCHEMBL18354 | Octamethylcyclotetrasiloxane, 98% | Octamethylcyclotetrasiloxane, analytical standard | NUC silicone VS 7207 | KF 994 | Cyclomethicone 4, United States Pharmacopeia (USP) Refere

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

It is low weight cyclic siloxane. It is usually present as a constituent in precision cleaning and other select consumer products. Effect of D4 on mice was reported.
It may be useful in the preparation of silicone polymers. D4 was used as precursor to deposit organosilicon films by chemical vapor deposition.

Specifications

Synonyms

D4 | CYCLOMETHICONE 4 [USP-RS] | OCTAMETHYCYCLOTETRASILOXANE | SCHEMBL18354 | Octamethylcyclotetrasiloxane, 98% | Octamethylcyclotetrasiloxane, analytical standard | NUC silicone VS 7207 | KF 994 | Cyclomethicone 4, United States Pharmacopeia (USP) Refere

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488181279
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181279
• Canonical Smiles: C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C
• IUPAC Name: 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
• InChIKey: HMMGMWAXVFQUOA-UHFFFAOYSA-N
• INCHI: 1S/C8H24O4Si4/c1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h1-8H3
• Isomeric SMILES: C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C
• WGK Germany: 3
• RTECS: GZ4397000
• UN Number: 1993
• Packing Group: III
• Molecular Weight: 296.62
• Beilstein: 4(3)1885
• Reaxy-Rn: 1787074
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1787074&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: 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
• Description: 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: organosilicon compound - cyclosiloxane

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.396
• Flash Point(°F): 123.8 °F
• Flash Point(°C): 54°C(lit.)
• Boil Point(°C): 175-176 °C
• Melt Point(°C): 17-18 °C
• Molecular Weight: 296.610 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 296.075 Da
• Monoisotopic Mass: 296.075 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 197.000
• 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

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