Ethyl [(tert-Butyldimethylsilyl)oxy]acetate - ≥98% , CAS No.67226-78-2

CAS: 67226-78-2 Cat. No.: E330998 Molecular Weight: 218.37

GRADE & PURITY ≥98%

Synonyms

Ethyl glycolate, TBDMS derivative | EN300-8660142 | ethyl t-butyldimethylsilyloxyacetate | SY344975 | MFCD09835572 | AKOS028112102 | DTXSID20457971 | 2-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]acetic Acid Ethyl Ester | ETHYL 2-[(TERT-BUTYLDIMETHYLSILYL)OXY]

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Ethyl glycolate, TBDMS derivative | EN300-8660142 | ethyl t-butyldimethylsilyloxyacetate | SY344975 | MFCD09835572 | AKOS028112102 | DTXSID20457971 | 2-[[(1, 1-Dimethylethyl)dimethylsilyl]oxy]acetic Acid Ethyl Ester | ETHYL 2-[(TERT-BUTYLDIMETHYLSILYL)OXY]

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766132
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766132
• Canonical Smiles: CCOC(=O)CO[Si](C)(C)C(C)(C)C
• IUPAC Name: ethyl 2-[tert-butyl(dimethyl)silyl]oxyacetate
• InChIKey: VMYQJDCENDEETH-UHFFFAOYSA-N
• INCHI: 1S/C10H22O3Si/c1-7-12-9(11)8-13-14(5,6)10(2,3)4/h7-8H2,1-6H3
• Isomeric SMILES: CCOC(=O)CO[Si](C)(C)C(C)(C)C
• Molecular Weight: 218.37
• Reaxy-Rn: 2249392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2249392&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 Carboxylic acid esters Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylheterosilane - Silyl ether - Carboxylic acid ester - Organic metalloid salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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: Soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate and Methanol
• Molecular Weight: 218.360 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 218.134 Da
• Monoisotopic Mass: 218.134 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 194.000
• 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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