Methyl dimethoxyacetate - ≥95% , CAS No.89-91-8

CAS: 89-91-8 Cat. No.: M141487 Formula: (CH₃O)₂CHCOOCH₃ Molecular Weight: 134.13 Beilstein Registry Number: 1757582 EC Number: 201-950-0

GRADE & PURITY ≥95%

Synonyms

AM20120283 | UNII-BHW4XD9QGH | A843374 | Methyl glyoxylate,dimethyl acetal | Glyoxylic acid methyl ester dimethyl acetal | Methyl 2,2-dimethoxyacetate | MFCD00008484 | SCHEMBL176754 | EN300-65197 | Methyl dimethoxyacetate, 97% | EINECS 201-950-0 | AS-1598

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AM20120283 | UNII-BHW4XD9QGH | A843374 | Methyl glyoxylate,dimethyl acetal | Glyoxylic acid methyl ester dimethyl acetal | Methyl 2,2-dimethoxyacetate | MFCD00008484 | SCHEMBL176754 | EN300-65197 | Methyl dimethoxyacetate, 97% | EINECS 201-950-0 | AS-1598

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC(C(=O)OC)OC
• IUPAC Name: methyl 2,2-dimethoxyacetate
• InChIKey: NZTCVGHPDWAALP-UHFFFAOYSA-N
• INCHI: 1S/C5H10O4/c1-7-4(6)5(8-2)9-3/h5H,1-3H3
• Isomeric SMILES: COC(C(=O)OC)OC
• WGK Germany: 3
• Molecular Weight: 134.13
• Beilstein: 1757582
• Reaxy-Rn: 1757582
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757582&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: Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Monocarboxylic acid or derivatives - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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.
• x_refractive_index: 1.405
• x_flash_point_drop_fahrenheit: 63°C
• x_flash_point_drop_centigrade: 67°C
• x_boil_point_char: 67 °C
• Molecular Weight: 134.130 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 134.058 Da
• Monoisotopic Mass: 134.058 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 87.000
• 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

Frequently Asked Questions

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

The CAS Number is 89-91-8, the molecular formula is C5H10O4, and the molecular weight is 134.13 g/mol. InChIKey NZTCVGHPDWAALP-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.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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