Methyl trimethylsilylacetate - ≥98% , CAS No.2916-76-9

CAS: 2916-76-9 Cat. No.: M342470 Molecular Weight: 146.26 EC Number: 220-845-0

GRADE & PURITY ≥98%

Synonyms

Methyl 2-(trimethylsilyl)acetate | AKOS015950719 | Methyl trimethylsilylacetate | J-017415 | JIHUZDFFYVRXKP-UHFFFAOYSA- | NSC601813 | NSC-601813 | FT-0704544 | trimethylsilanyl-acetic acid methyl ester | Methyl (trimethylsilyl)acetate | Methyl(trimethylsi

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Methyl 2-(trimethylsilyl)acetate | AKOS015950719 | Methyl trimethylsilylacetate | J-017415 | JIHUZDFFYVRXKP-UHFFFAOYSA- | NSC601813 | NSC-601813 | FT-0704544 | trimethylsilanyl-acetic acid methyl ester | Methyl (trimethylsilyl)acetate | Methyl(trimethylsi

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185227
• Canonical Smiles: COC(=O)C[Si](C)(C)C
• IUPAC Name: methyl 2-trimethylsilylacetate
• InChIKey: JIHUZDFFYVRXKP-UHFFFAOYSA-N
• INCHI: 1S/C6H14O2Si/c1-8-6(7)5-9(2,3)4/h5H2,1-4H3
• Isomeric SMILES: COC(=O)C[Si](C)(C)C
• WGK Germany: 3
• Molecular Weight: 146.26
• Reaxy-Rn: 1098961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098961&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Organic metalloid salts Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkylsilanes
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Organic metalloid salt - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• 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): 91.4 °F
• Flash Point(°C): 33 °C
• 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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