Methyl methacrylate - Standard for GC, ≥99.5%(GC), stabilized with 30 ppm DMBP , CAS No.80-62-6

CAS: 80-62-6 Cat. No.: M109626 Fórmula: C₅H₈O₂ Peso molecular: 100.12 Beilstein Registry Number: 605459 Número EC: 201-297-1

GRADE & PURITY Standard for GC, ≥99.5%(GC), stabilized with 30 ppm DMBP

Synonyms

2-methylacrylic acid methyl ester | 2-Methyl-acrylic acid methyl ester | Metakrylan metylu | Methylester kyseliny methakrylove [Czech] | NCI-C50680 | RCRA waste no. U162 | METHYL METHACRYLATE [HSDB] | NCGC00257921-01 | Methyl ester of 2-methyl-2-propenoic

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

2-methylacrylic acid methyl ester | 2-Methyl-acrylic acid methyl ester | Metakrylan metylu | Methylester kyseliny methakrylove [Czech] | NCI-C50680 | RCRA waste no. U162 | METHYL METHACRYLATE [HSDB] | NCGC00257921-01 | Methyl ester of 2-methyl-2-propenoic

Especificaciones y pureza

Standard for GC, ≥99.5%(GC), stabilized with 30 ppm DMBP

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice,FedEx DG Service

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

Grado

Standard for GC

Pureza

≥99.5%(GC)

Nombres e identificadores

Pubchem Sid

508814861

Sonrisas canónicas

CC(=C)C(=O)OC

IUPAC Name

methyl 2-methylprop-2-enoate

InChIKey

VVQNEPGJFQJSBK-UHFFFAOYSA-N

INCHI

1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3

Isómeros SMILES

CC(=C)C(=O)OC

WGK Alemania

1

RTECS

OZ5075000

Número ONU

1247

Grupo de embalaje

II

Peso molecular

100.12

Beilstein

605459

Reaxy-Rn

605459

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605459&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: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Enoate ester - Methyl 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: enoate ester

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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Tetrahymena pyriformis (68 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Índice de refracción: 1.4142
• Punto de inflamación (°F): 50°F
• Punto de inflamación (°C): 8℃
• Punto de ebullición (°C): 100-101°C
• Punto de fusión (°C): -48°C
• Peso molecular: 100.120 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 100.052 Da
• Monoisotopic Mass: 100.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 94.300
• 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