1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane - ≥95%(GC) , CAS No.5931-17-9

CAS: 5931-17-9 Cat. No.: B151954 Molecular Weight: 278.54 Beilstein Registry Number: 4(4)4087 EC Number: 611-816-7

GRADE & PURITY ≥95%(GC)

Synonyms

C12H30O3Si2 | DTXSID80377681 | 1,3-BIS(4-HYDROXYBUTYL)TETRAMETHYLDISILOXANE? | 4-[[4-hydroxybutyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-ol | 1-Butanol, 4,4'-(1,1,3,3-tetramethyl-1,3-disiloxanediyl)bis- | 1,3-bis(4-hydroxybutyl) tetramethyl disiloxane |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

C12H30O3Si2 | DTXSID80377681 | 1, 3-BIS(4-HYDROXYBUTYL)TETRAMETHYLDISILOXANE? | 4-[[4-hydroxybutyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-ol | 1-Butanol, 4, 4'-(1, 1, 3, 3-tetramethyl-1, 3-disiloxanediyl)bis- | 1, 3-bis(4-hydroxybutyl) tetramethyl disiloxane |

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488193404
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193404
• Canonical Smiles: C[Si](C)(CCCCO)O[Si](C)(C)CCCCO
• IUPAC Name: 4-[[4-hydroxybutyl(dimethyl)silyl]oxy-dimethylsilyl]butan-1-ol
• InChIKey: OWJKJLOCIDNNGJ-UHFFFAOYSA-N
• INCHI: 1S/C12H30O3Si2/c1-16(2,11-7-5-9-13)15-17(3,4)12-8-6-10-14/h13-14H,5-12H2,1-4H3
• Isomeric SMILES: C[Si](C)(CCCCO)O[Si](C)(C)CCCCO
• Molecular Weight: 278.54
• Beilstein: 4(4)4087
• Reaxy-Rn: 1767695
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1767695&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Siloxanes
          • Level6 Disiloxanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Siloxanes
• Direct Parent: Disiloxanes
• Alternative Parents: Trialkylheterosilanes Organic metalloid salts Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Disiloxane - Trialkylheterosilane - Organoheterosilane - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as disiloxanes. These are organosilicon compounds with the general formula H[Si](R)(R')O[Si](H)(R'')R''' (R= organyl, R'-R'''= H or organyl).
• 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

• Refractive Index: 1.45
• Boil Point(°C): 185°C/5mmHg(lit.)
• Molecular Weight: 278.530 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 10
• Exact Mass: 278.173 Da
• Monoisotopic Mass: 278.173 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 176.000
• 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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