Methyl Acetylacrylate - ≥98%(GC) , CAS No.4188-88-9

CAS: 4188-88-9 Cat. No.: M157976 Fórmula: C₆H₈O₃ Peso molecular: 128.13

GRADE & PURITY ≥98%(GC)

Synonyms

Methyl (2Z)-4-oxo-2-pentenoate | (E)-methyl 4-oxopent-2-enoate | Methyl trans-4-oxo-2-pentenoate, >=97.0% (GC) | (E)-3-Acetylacrylic acid methyl ester | Acetylacrylic Acid Methyl Ester | GLVNZYODMKSEPS-ONEGZZNKSA- | Methyl trans-4-oxo-2-pentenoate | Methy

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Methyl (2Z)-4-oxo-2-pentenoate | (E)-methyl 4-oxopent-2-enoate | Methyl trans-4-oxo-2-pentenoate, >=97.0% (GC) | (E)-3-Acetylacrylic acid methyl ester | Acetylacrylic Acid Methyl Ester | GLVNZYODMKSEPS-ONEGZZNKSA- | Methyl trans-4-oxo-2-pentenoate | Methy

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

508811854

Sonrisas canónicas

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

IUPAC Name

methyl (E)-4-oxopent-2-enoate

InChIKey

GLVNZYODMKSEPS-ONEGZZNKSA-N

INCHI

1S/C6H8O3/c1-5(7)3-4-6(8)9-2/h3-4H,1-2H3/b4-3+

Isómeros SMILES

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

Peso molecular

128.13

Reaxy-Rn

1362796

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362796&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Methyl esters Enones Enoate esters Acryloyl compounds Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Alcohol
• Punto de ebullición (°C): 90°C/17mmHg(lit.)
• Punto de fusión (°C): 60 °C
• Peso molecular: 128.130 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 128.047 Da
• Monoisotopic Mass: 128.047 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 146.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1