Trimethylsilyl Propionate - ≥95%(GC) , CAS No.16844-98-7

CAS: 16844-98-7 Cat. No.: T161571 Molecular Weight: 146.26 EC Number: 835-417-4 PubChem CID: 519321

GRADE & PURITY ≥95%(GC)

Synonyms

SCHEMBL1291088 | Silanol, trimethyl-, propanoate | QVSRWXFOZLIWJS-UHFFFAOYSA-N | Propionic acid trimethylsilyl ester | Silanol, trimethyl-, propionate | 5-Benzoyl-2-methoxybenzenesulfonylchloride | trimethylsilyl propanoate | Propionic acid, trimethylsily

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL1291088 | Silanol, trimethyl-, propanoate | QVSRWXFOZLIWJS-UHFFFAOYSA-N | Propionic acid trimethylsilyl ester | Silanol, trimethyl-, propionate | 5-Benzoyl-2-methoxybenzenesulfonylchloride | trimethylsilyl propanoate | Propionic acid, trimethylsily

Specifications & Purity

≥95%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 504759025
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759025
• Canonical Smiles: CCC(=O)O[Si](C)(C)C
• IUPAC Name: trimethylsilyl propanoate
• InChIKey: QVSRWXFOZLIWJS-UHFFFAOYSA-N
• INCHI: 1S/C6H14O2Si/c1-5-6(7)8-9(2,3)4/h5H2,1-4H3
• Isomeric SMILES: CCC(=O)O[Si](C)(C)C
• PubChem CID: 519321
• Molecular Weight: 146.26

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: Trialkylheterosilanes Carboxylic acid salts Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trimethylsilyl ester - Trialkylheterosilane - Carboxylic acid salt - Organoheterosilane - Organic metalloid salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic 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
• Refractive Index: 1.40
• Flash Point(°C): 19 °C
• Boil Point(°C): 122°C(lit.)
• Molecular Weight: 146.260 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 146.076 Da
• Monoisotopic Mass: 146.076 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 104.000
• 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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