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

CAS: 6342-56-9 Cat. No.: P135662 Peso molecular: 118.13 Beilstein Registry Number: 1(4)3631 Número EC: 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

Argon charged,Room temperature

Shipped In

Normal

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Pubchem Sid: 488185892
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185892
• Sonrisas canónicas: 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
• Isómeros SMILES: CC(=O)C(OC)OC
• WGK Alemania: 1
• PubChem CID: 80650
• Número ONU: 1224
• Grupo de embalaje: III
• Peso molecular: 118.13
• Beilstein: 1(4)3631
• Reaxy-Rn: 1560557

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water. 350 g/L at 20°C.
• Sensibilidad: Light Sensitive,Air Sensitive
• Índice de refracción: 1.398
• Punto de inflamación (°F): 93 °F
• Punto de inflamación (°C): 34 °C
• Punto de ebullición (°C): 143-147 °C
• Peso molecular: 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

Referencias

1. Jifan Li, Duo Li, Chun-Ling Liu, Chunli Xu, Wen-Sheng Dong.  (2019)  The conversion of glycerol to methyl lactate catalyzed by tin-exchanged montmorillonite-supported gold catalysts.  JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY,  94  (6): (1958-1967).  [PMID:] [10.1002/jctb.5979]