Metacrilato de isopropilo (estabilizado con MEHQ) - ≥98%(GC),stabilized with MEHQ , CAS No.4655-34-9

CAS: 4655-34-9 Cat. No.: I157609 Peso molecular: 128.17 Beilstein Registry Number: 2(4)1525 Número EC: 225-094-2

GRADE & PURITY ≥98%(GC), stabilized with MEHQ

Synonyms

Acrylic acid, 2-methyl-, isopropyl ester | NCGC00260157-01 | CAS-4655-34-9 | Isopropyl methacrylate; >98% | iso-Propyl methacrylate; >98% | Isopropyl 2-methylacrylate # | DTXSID6022218 | EN300-136738 | isopropylmethacrylate | BRN 1744848 | ISOPROPYL METHA

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

Acrylic acid, 2-methyl-, isopropyl ester | NCGC00260157-01 | CAS-4655-34-9 | Isopropyl methacrylate; >98% | iso-Propyl methacrylate; >98% | Isopropyl 2-methylacrylate # | DTXSID6022218 | EN300-136738 | isopropylmethacrylate | BRN 1744848 | ISOPROPYL METHA

Especificaciones y pureza

≥98%(GC), stabilized with MEHQ

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated, Cool

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488182643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182643
• Sonrisas canónicas: CC(C)OC(=O)C(=C)C
• IUPAC Name: propan-2-yl 2-methylprop-2-enoate
• InChIKey: BOQSSGDQNWEFSX-UHFFFAOYSA-N
• INCHI: 1S/C7H12O2/c1-5(2)7(8)9-6(3)4/h6H,1H2,2-4H3
• Isómeros SMILES: CC(C)OC(=O)C(=C)C
• RTECS: OZ5020000
• Número ONU: 1993
• Grupo de embalaje: I
• Peso molecular: 128.17
• Beilstein: 2(4)1525
• Reaxy-Rn: 1744848
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1744848&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 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Monocarboxylic acid or derivatives - 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 enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• 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: Insoluble in water; Soluble in Methanol,Ether,Benzene,Acetone
• Índice de refracción: 1.41
• Punto de inflamación (°C): 25°C(lit.)
• Punto de ebullición (°C): 126 °C
• Peso molecular: 128.169 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 128.084 Da
• Monoisotopic Mass: 128.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 125.000
• 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