trans-3-(Trimethylsilyl)allyl alcohol - ≥97% , CAS No.59376-64-6

CAS: 59376-64-6 Cat. No.: T113990 Molecular Weight: 130.26 Beilstein Registry Number: 1902497 EC Number: 622-682-4 PubChem CID: 5366912

GRADE & PURITY ≥97%

Synonyms

A829203 | J-802119 | (2E)-3-(trimethylsilyl)prop-2-en-1-ol | (E)-3-trimethylsilylprop-2-en-1-ol | (2E)-3-(Trimethylsilyl)-2-propen-1-ol # | trans-3-(Trimethylsilyl)allyl alcohol | DS-11396 | SCHEMBL2172402 | 3-(trimethylsilyl)allylalcohol | AKOS015909058

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

trans-3-(Trimethylsilyl)allyl alcohol is a 3-silyl allyl alcohol.

Specifications

Synonyms

A829203 | J-802119 | (2E)-3-(trimethylsilyl)prop-2-en-1-ol | (E)-3-trimethylsilylprop-2-en-1-ol | (2E)-3-(Trimethylsilyl)-2-propen-1-ol # | trans-3-(Trimethylsilyl)allyl alcohol | DS-11396 | SCHEMBL2172402 | 3-(trimethylsilyl)allylalcohol | AKOS015909058

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C=CCO
• IUPAC Name: (E)-3-trimethylsilylprop-2-en-1-ol
• InChIKey: BRTBTJVSPJZQIT-GQCTYLIASA-N
• INCHI: 1S/C6H14OSi/c1-8(2,3)6-4-5-7/h4,6-7H,5H2,1-3H3/b6-4+
• Isomeric SMILES: C[Si](C)(C)/C=C/CO
• WGK Germany: 3
• PubChem CID: 5366912
• UN Number: 1993
• Molecular Weight: 130.26
• Beilstein: 1902497

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkylsilanes
          • Level6 Trialkylsilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkylsilanes
• Direct Parent: Trialkylsilanes
• Alternative Parents: Organic metalloid salts Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylsilane - 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 trialkylsilanes. These are organosilicon compounds containing exactly one alkyl chain attached to the silicon atom.
• 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: 1.444
• Flash Point(°F): 136.4 °F
• Flash Point(°C): 58 °C
• Boil Point(°C): 166-168°C
• Molecular Weight: 130.259 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 130.081 Da
• Monoisotopic Mass: 130.081 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 81.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

XLogP3