Methyl 2,2-Dimethoxypropionate - ≥96%(GC) , CAS No.10076-48-9

CAS: 10076-48-9 Cat. No.: M157789 Fórmula: C₆H₁₂O₄ Peso molecular: 148.16 Número CE: 233-211-3

GRADE & PURITY ≥96%(GC)

Synonyms

Propanoic acid,2-dimethoxy-, methyl ester | SCHEMBL614248 | D2382 | Prestwick_898 | Methyl (2,2-dimethoxy)propanoate | Q63409283 | MFCD00048066 | O11855 | UNII-CS268A9K9W | EINECS 233-211-3 | A897345 | DS-5713 | NSC 159637 | EN300-97309 | FT-0636627 | Met

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Propanoic acid,2-dimethoxy-, methyl ester | SCHEMBL614248 | D2382 | Prestwick_898 | Methyl (2,2-dimethoxy)propanoate | Q63409283 | MFCD00048066 | O11855 | UNII-CS268A9K9W | EINECS 233-211-3 | A897345 | DS-5713 | NSC 159637 | EN300-97309 | FT-0636627 | Met

Especificações e pureza

≥96%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥96%(GC)

Nomes e identificadores

Pubchem Sid

488186088

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186088

Sorrisos canónicos

CC(C(=O)OC)(OC)OC

IUPAC Name

methyl 2,2-dimethoxypropanoate

InChIKey

KHQQDBIXHUJARJ-UHFFFAOYSA-N

INCHI

1S/C6H12O4/c1-6(9-3,10-4)5(7)8-2/h1-4H3

SMILES isoméricas

CC(C(=O)OC)(OC)OC

Peso molecular

148.16

Reaxy-Rn

1758971

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758971&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers
        • Level5 Acetals
          • Level6 Ketals

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Acetals
• Direct Parent: Ketals
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketal - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals.
• 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

Propriedades químicas e físicas

• Índice de refração: 1.41
• Ponto de inflamação (°C): 68 °C
• Ponto de ebulição (°C): 70°C/13mmHg(lit.)
• Peso molecular: 148.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 148.074 Da
• Monoisotopic Mass: 148.074 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 117.000
• 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