Methyl trimethoxyacetate - ≥96% , CAS No.18370-95-1

CAS: 18370-95-1 Cat. No.: M168095 Fórmula: C₆H₁₂O₅ Peso molecular: 164.16 Número EC: 687-516-5

GRADE & PURITY ≥96%

Synonyms

FT-0775052 | SY039031 | methyl 2,2,2-trimethoxyacetate | Methyl2,2,2-Trimethoxyacetate | AKOS006331273 | methyltrimethoxyacetate | Acetic acid, trimethoxy-, methyl ester | AR-527/43363322 | MFCD09701200 | SCHEMBL788497 | AM20090075 | DTXSID90503479 | meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0775052 | SY039031 | methyl 2,2,2-trimethoxyacetate | Methyl2,2,2-Trimethoxyacetate | AKOS006331273 | methyltrimethoxyacetate | Acetic acid, trimethoxy-, methyl ester | AR-527/43363322 | MFCD09701200 | SCHEMBL788497 | AM20090075 | DTXSID90503479 | meth

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 488198161
• Sonrisas canónicas: COC(=O)C(OC)(OC)OC
• IUPAC Name: methyl 2,2,2-trimethoxyacetate
• InChIKey: QTABOWCQAPYNPP-UHFFFAOYSA-N
• INCHI: 1S/C6H12O5/c1-8-5(7)6(9-2,10-3)11-4/h1-4H3
• Isómeros SMILES: COC(=O)C(OC)(OC)OC
• WGK Alemania: 3
• Peso molecular: 164.16
• Reaxy-Rn: 1769684
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1769684&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ortho esters

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ortho esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho esters
• Alternative Parents: Carboxylic acid orthoesters Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ortho ester - Carboxylic acid orthoester - Methyl ester - Orthocarboxylic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ortho esters. These are compounds having the general structure RC(OR')3 ( R' not H), or the structure C(OR')4 ( R' not H).
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.413
• Punto de inflamación (°F): 179.6 °F
• Punto de inflamación (°C): 82 °C
• Peso molecular: 164.160 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 164.068 Da
• Monoisotopic Mass: 164.068 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 18370-95-1, the molecular formula is C6H12O5, and the molecular weight is 164.16 g/mol. InChIKey QTABOWCQAPYNPP-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.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.