Methyl 2-(hydroxymethyl)acrylate - ≥88%(GC), contain inhibitor , CAS No.15484-46-5

CAS: 15484-46-5 Cat. No.: M167537 Fórmula: C₅H₈O₃ Peso molecular: 116.12 Número EC: 604-981-1

GRADE & PURITY ≥88%(GC), contain inhibitor

Synonyms

methyl alpha-hydroxymethylacrylate | RFUCOAQWQVDBEU-UHFFFAOYSA-N | METHYL 2-(HYDROXYMETHYL)ACRYLATE | 2-methylolacrylic acid methyl ester | 2-(3-phenylmethoxyphenyl)ethanoic acid | A883694 | Methyl 2-(hydroxymethyl)acrylate, contain inhibitor | Q27452691

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

methyl alpha-hydroxymethylacrylate | RFUCOAQWQVDBEU-UHFFFAOYSA-N | METHYL 2-(HYDROXYMETHYL)ACRYLATE | 2-methylolacrylic acid methyl ester | 2-(3-phenylmethoxyphenyl)ethanoic acid | A883694 | Methyl 2-(hydroxymethyl)acrylate, contain inhibitor | Q27452691

Especificaciones y pureza

≥88%(GC), contain inhibitor

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

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

Pureza

≥88%(GC)

Nombres e identificadores

Pubchem Sid

488197754

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197754

Sonrisas canónicas

COC(=O)C(=C)CO

IUPAC Name

methyl 2-(hydroxymethyl)prop-2-enoate

InChIKey

RFUCOAQWQVDBEU-UHFFFAOYSA-N

INCHI

1S/C5H8O3/c1-4(3-6)5(7)8-2/h6H,1,3H2,2H3

Isómeros SMILES

COC(=O)C(=C)CO

WGK Alemania

1

Peso molecular

116.12

Reaxy-Rn

1749890

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1749890&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Hydroxy acids and derivatives
      • Subclass Beta hydroxy acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Hydroxy acids and derivatives
• Subclass: Beta hydroxy acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta hydroxy acids and derivatives
• Alternative Parents: Methyl esters Enoate esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-hydroxy acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
• 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

Objetivos asociados (no humanos)

Escherichia coli (133304 Activities)

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

RAW264.7 (28094 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive;Light sensitive;Heat sensitive
• Índice de refracción: 1.456
• Punto de inflamación (°F): 194 °F
• Punto de inflamación (°C): 90 °C
• Peso molecular: 116.110 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 116.047 Da
• Monoisotopic Mass: 116.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 106.000
• 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