4-(tert-Butyldimethylsilyl)oxy-1-butanol - ≥97% , CAS No.87184-99-4

CAS: 87184-99-4 Cat. No.: D136918 Molecular Weight: 204.38 EC Number: 861-060-9

GRADE & PURITY ≥97%

Synonyms

4-((tert-Butyldimethylsilyl)oxy)butan-1-ol | 4-(t-butyldimethylsilyloxy)-1-butanol | 4-(tert-Butyldimethylsilyl)-oxy-1-butan& | 4-(tert-Butyldimethylsilyl)oxy-1-butanol, 97% | DTXSID60236161 | 4-(DIMETHYL-TERT-BUTYLSILYLOXY)BUTAN-1-OL | SY050324 | IJEMXJA

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-((tert-Butyldimethylsilyl)oxy)butan-1-ol | 4-(t-butyldimethylsilyloxy)-1-butanol | 4-(tert-Butyldimethylsilyl)-oxy-1-butan& | 4-(tert-Butyldimethylsilyl)oxy-1-butanol, 97% | DTXSID60236161 | 4-(DIMETHYL-TERT-BUTYLSILYLOXY)BUTAN-1-OL | SY050324 | IJEMXJA

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)OCCCCO
• IUPAC Name: 4-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
• InChIKey: IJEMXJANZPVITP-UHFFFAOYSA-N
• INCHI: 1S/C10H24O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h11H,6-9H2,1-5H3
• Isomeric SMILES: CC(C)(C)[Si](C)(C)OCCCCO
• WGK Germany: 3
• Molecular Weight: 204.38
• Reaxy-Rn: 4304897
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4304897&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Organoheterosilanes
          • Level6 Trialkylheterosilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Organoheterosilanes
• Direct Parent: Trialkylheterosilanes
• Alternative Parents: Silyl ethers Organic metalloid salts Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Silyl ether - 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 trialkylheterosilanes. These are organoheterosilanes, bearing a silicon atom linked to three alkyl groups and one heteroatom.
• 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: Slightly Soluble in water.(2.0 g/L) (25°C). Soluble in Dichloromethane, Ethyl Acetate, Methanol
• Sensitivity: Moisture sensitive
• Refractive Index: 1.4390
• Flash Point(°F): 221 °F
• Flash Point(°C): 105℃
• Boil Point(°C): 63-66℃
• Molecular Weight: 204.380 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 204.155 Da
• Monoisotopic Mass: 204.155 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 138.000
• 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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