1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane - ≥97% , CAS No.2116-84-9

CAS: 2116-84-9 Cat. No.: H157206 Molecular Weight: 372.76 EC Number: 218-320-6

GRADE & PURITY ≥97%

Synonyms

1,1,1,5,5,5-hexamethyl-3-phenyl-3-((trimethylsilyl)oxy)trisiloxane | C15H32O3Si4 | DC 556 | Phenyl trimethicone | D91036 | 1,1,1,5,5,5-hexamethyl-3-phenyl-3-[(trimethylsilyl)oxy]trisiloxane | Silicone DC 556 | Trisiloxane, 1,1,1,5,5,5-hexamethyl-3-phenyl-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

1, 1, 1, 5, 5, 5-hexamethyl-3-phenyl-3-((trimethylsilyl)oxy)trisiloxane | C15H32O3Si4 | DC 556 | Phenyl trimethicone | D91036 | 1, 1, 1, 5, 5, 5-hexamethyl-3-phenyl-3-[(trimethylsilyl)oxy]trisiloxane | Silicone DC 556 | Trisiloxane, 1, 1, 1, 5, 5, 5-hexamethyl-3-phenyl-

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183576
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183576
• Canonical Smiles: C[Si](C)(C)O[Si](C1=CC=CC=C1)(O[Si](C)(C)C)O[Si](C)(C)C
• IUPAC Name: trimethyl-[phenyl-bis(trimethylsilyloxy)silyl]oxysilane
• InChIKey: LINXHFKHZLOLEI-UHFFFAOYSA-N
• INCHI: 1S/C15H32O3Si4/c1-19(2,3)16-22(17-20(4,5)6,18-21(7,8)9)15-13-11-10-12-14-15/h10-14H,1-9H3
• Isomeric SMILES: C[Si](C)(C)O[Si](C1=CC=CC=C1)(O[Si](C)(C)C)O[Si](C)(C)C
• Molecular Weight: 372.76
• Reaxy-Rn: 2948443
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2948443&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: Trialkylheterosilanes Organic metalloid salts Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Trialkylheterosilane - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organosilicon compound - Aromatic homomonocyclic 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

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.44
• Flash Point(°F): 127°C(lit.)
• Flash Point(°C): 127°C(lit.)
• Boil Point(°C): 80°C/1mmHg(lit.)
• Molecular Weight: 372.750 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 372.143 Da
• Monoisotopic Mass: 372.143 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 308.000
• 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

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