1,1-Dimethoxyacetone - ≥97%(GC) , CAS No.6342-56-9

CAS: 6342-56-9 Cat. No.: P135662 Formula: C₅H₁₀O₃ Molecular Weight: 118.13 Beilstein Registry Number: 1(4)3631 EC Number: 228-735-4 PubChem CID: 80650

GRADE & PURITY ≥97%(GC)

Synonyms

P1264 | NSC 50127 | NSC50127 | NSC-50127 | FT-0606125 | 1,1-bis(methyloxy)-2-propanone | Methylglyoxal 1,1-dimethyl acetal pound>>2-Propanone, 1,1-dimethoxy- | MFCD00008758 | Pyruvaldehyde-1-dimethyl acetal | Methylglyoxal 1,1-dimethyl acetal, >=97% | J-5

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Methylglyoxal 1,1-dimethyl acetal was used in the synthesis of methylglyoxal via hydrolysis in the presence of H2SO4.It was used to investigate the effects of methylglyoxal-mediated glycation on the structure, thermal stability and enzyme activity of yeast enolase in vivo.

Specifications

Synonyms

P1264 | NSC 50127 | NSC50127 | NSC-50127 | FT-0606125 | 1,1-bis(methyloxy)-2-propanone | Methylglyoxal 1,1-dimethyl acetal pound>>2-Propanone, 1,1-dimethoxy- | MFCD00008758 | Pyruvaldehyde-1-dimethyl acetal | Methylglyoxal 1,1-dimethyl acetal, >=97% | J-5

Specifications & Purity

≥97%(GC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

Pubchem Sid

488185892

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185892

Canonical Smiles

CC(=O)C(OC)OC

IUPAC Name

1,1-dimethoxypropan-2-one

InChIKey

ULVSHNOGEVXRDR-UHFFFAOYSA-N

INCHI

1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3

Isomeric SMILES

CC(=O)C(OC)OC

WGK Germany

1

PubChem CID

80650

UN Number

1224

Packing Group

III

Molecular Weight

118.13

Beilstein

1(4)3631

Reaxy-Rn

1560557

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketones
• Alternative Parents: Acetals Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketone - Acetal - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.
• 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

• Solubility: Soluble in water. 350 g/L at 20°C.
• Sensitivity: Light Sensitive,Air Sensitive
• x_refractive_index: 1.398
• x_flash_point_drop_fahrenheit: 93 °F
• x_flash_point_drop_centigrade: 34 °C
• x_boil_point_char: 143-147 °C
• Molecular Weight: 118.130 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 118.063 Da
• Monoisotopic Mass: 118.063 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 75.700
• 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 is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

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

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

The CAS Number is 6342-56-9, the molecular formula is C5H10O3, and the molecular weight is 118.13 g/mol. InChIKey ULVSHNOGEVXRDR-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.