Phenylacetoxytrimethylsilane - ≥97% , CAS No.2078-18-4

CAS: 2078-18-4 Cat. No.: P342566 Formula: C₆H₅CH₂COOSi(CH₃)₃ Molecular Weight: 208.33 PubChem CID: 519815

GRADE & PURITY ≥97%

Synonyms

Phenylacetoxytrimethylsilane | trimethylsilyl 2-phenylacetate | Phenylacetic acid, trimethylsilyl ester | DTXSID80334153 | J-013623 | Acetic acid, phenyl-, trimethylsilyl ester | SCHEMBL1054539 | Benzeneacetic acid, trimethylsilyl ester | WWCXSUHALKENOU-U

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Phenylacetoxytrimethylsilane | trimethylsilyl 2-phenylacetate | Phenylacetic acid, trimethylsilyl ester | DTXSID80334153 | J-013623 | Acetic acid, phenyl-, trimethylsilyl ester | SCHEMBL1054539 | Benzeneacetic acid, trimethylsilyl ester | WWCXSUHALKENOU-U

Specifications & Purity

≥97%

Storage

Argon charged,Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488190034

Canonical Smiles

C[Si](C)(C)OC(=O)CC1=CC=CC=C1

IUPAC Name

trimethylsilyl 2-phenylacetate

InChIKey

WWCXSUHALKENOU-UHFFFAOYSA-N

INCHI

1S/C11H16O2Si/c1-14(2,3)13-11(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

Isomeric SMILES

C[Si](C)(C)OC(=O)CC1=CC=CC=C1

WGK Germany

3

PubChem CID

519815

Molecular Weight

208.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Trimethylsilyl esters
• Alternative Parents: Benzene and substituted derivatives Trialkylheterosilanes Carboxylic acid salts Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trimethylsilyl ester - Monocyclic benzene moiety - Benzenoid - Trialkylheterosilane - Carboxylic acid salt - Carboxylic acid derivative - Organoheterosilane - Monocarboxylic acid or derivatives - Organic metalloid salt - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trimethylsilyl esters. These are organoheterosilanes, bearing a silicon atom that is linked to three methyl groups and is O-esterified.
• 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
• Flash Point(°F): 170.6 °F
• Flash Point(°C): 77 °C
• Molecular Weight: 208.330 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 208.092 Da
• Monoisotopic Mass: 208.092 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 190.000
• 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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