Methacrolein diacetyl acetal - ≥95% , CAS No.10476-95-6

CAS: 10476-95-6 Cat. No.: M338420 Peso molecular: 172.18 Número EC: 233-974-2

GRADE & PURITY ≥95%

Synonyms

Methyl allylidene diacetate | Methacrolein diacetyl acetal | Q15425835 | 3,3-Diacetoxy-2-methyl-1-propene | Methallylidene diacetate | 2-Propene-1,1-diol, 2-methyl-, 1,1-diacetate | 2-METHYL-2-PROPENE-1,1-DIOLDIACETATE | DTXSID70864277 | BRN 1775081 | 2-M

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Methyl allylidene diacetate | Methacrolein diacetyl acetal | Q15425835 | 3, 3-Diacetoxy-2-methyl-1-propene | Methallylidene diacetate | 2-Propene-1, 1-diol, 2-methyl-, 1, 1-diacetate | 2-METHYL-2-PROPENE-1, 1-DIOLDIACETATE | DTXSID70864277 | BRN 1775081 | 2-M

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(=C)C(OC(=O)C)OC(=O)C
• IUPAC Name: (1-acetyloxy-2-methylprop-2-enyl) acetate
• InChIKey: QFXJBPCTHSTOPE-UHFFFAOYSA-N
• INCHI: 1S/C8H12O4/c1-5(2)8(11-6(3)9)12-7(4)10/h8H,1H2,2-4H3
• Isómeros SMILES: CC(=C)C(OC(=O)C)OC(=O)C
• Número ONU: 2810
• Grupo de embalaje: I
• Peso molecular: 172.18
• Reaxy-Rn: 1775081
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1775081&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Acylals

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Acylals
• Alternative Parents: Dicarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acylal - Dicarboxylic acid or derivatives - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acylals. These are diesters of geminal diols.
• 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

• Punto de ebullición (°C): 191° C (lit.)
• Punto de fusión (°C): -15° C (lit.)
• Peso molecular: 172.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 172.074 Da
• Monoisotopic Mass: 172.074 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 191.000
• 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