Ethyl trimethylsilyl malonate - ≥97% , CAS No.18457-03-9

CAS: 18457-03-9 Cat. No.: E468876 Formule: C₈H₁₆O₄Si Poids moléculaire: 204.30 Numéro CE: 242-340-4

GRADE & PURITY ≥97%

Synonyms

J-011824 | mono-Ethyl malonate, TMS derivative | FT-0695003 | Mono-ethylmalonate, trimethylsilyl ester | Propanedioic acid,1-ethyl 3-(trimethylsilyl)ester | Ethyl (trimethylsilyl) malonate | SCHEMBL453324 | AKOS015912750 | DTXSID20171589 | EINECS 242-340-

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Vue d’ensemble

Description

Ethyl trimethylsilyl malonate is an ester.

Specifications

Synonymes

J-011824 | mono-Ethyl malonate, TMS derivative | FT-0695003 | Mono-ethylmalonate, trimethylsilyl ester | Propanedioic acid,1-ethyl 3-(trimethylsilyl)ester | Ethyl (trimethylsilyl) malonate | SCHEMBL453324 | AKOS015912750 | DTXSID20171589 | EINECS 242-340-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: CCOC(=O)CC(=O)O[Si](C)(C)C
• IUPAC Name: 1-O-ethyl 3-O-trimethylsilyl propanedioate
• InChIKey: PVXMKQLVICGFSI-UHFFFAOYSA-N
• INCHI: 1S/C8H16O4Si/c1-5-11-7(9)6-8(10)12-13(2,3)4/h5-6H2,1-4H3
• Isomères SMILES: CCOC(=O)CC(=O)O[Si](C)(C)C
• WGK Allemagne: 3
• Poids moléculaire: 204.30
• Reaxy-Rn: 3082383
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3082383&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Classe: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Trimethylsilyl esters
• Alternative Parents: Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Trialkylheterosilanes Carboxylic acid salts Carboxylic acid esters Organic metalloid salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trimethylsilyl ester - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Trialkylheterosilane - Carboxylic acid ester - Carboxylic acid salt - Carboxylic acid derivative - Organoheterosilane - Organic metalloid salt - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic salt - 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Rotation spécifique [α]: 1.416 (lit.)
• Point d'éclair (°F): 122 °F
• Point d'éclair (°C): 50 °C
• Point d'ébullition (°C): 75 °C/0.5 mmHg (lit.)
• Poids moléculaire: 204.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 204.082 Da
• Monoisotopic Mass: 204.082 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 195.000
• 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

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 18457-03-9, the molecular formula is C8H16O4Si, and the molecular weight is 204.30 g/mol. InChIKey PVXMKQLVICGFSI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.