Vinyl Crotonate (stabilized with MEHQ) - ≥99% , CAS No.14861-06-4

CAS: 14861-06-4 Cat. No.: V162948 Peso molecular: 112.13 Beilstein Registry Number: 2(3)1263 Número EC: 238-930-6 PubChem CID: 5365800

GRADE & PURITY ≥99%

Synonyms

(E)-vinylbut-2-enoate | SMC9A01NVS | Crotonic acid, vinyl ester, (E)- | EINECS 238-930-6 | trans-Vinyl crotonate | Vinyl (2E)-2-butenoate # | 2-Butenoic acid, ethenyl ester, (2E)- | CHEBI:90695 | SCHEMBL5529 | MFCD00009288 | SCHEMBL55362 | SR-01000944897-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

(E)-vinylbut-2-enoate | SMC9A01NVS | Crotonic acid, vinyl ester, (E)- | EINECS 238-930-6 | trans-Vinyl crotonate | Vinyl (2E)-2-butenoate # | 2-Butenoic acid, ethenyl ester, (2E)- | CHEBI:90695 | SCHEMBL5529 | MFCD00009288 | SCHEMBL55362 | SR-01000944897-

Especificaciones y pureza

≥99%

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

≥99%

Nombres e identificadores

• Pubchem Sid: 504763752
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763752
• Sonrisas canónicas: CC=CC(=O)OC=C
• IUPAC Name: ethenyl (E)-but-2-enoate
• InChIKey: IYNRVIKPUTZSOR-HWKANZROSA-N
• INCHI: 1S/C6H8O2/c1-3-5-6(7)8-4-2/h3-5H,2H2,1H3/b5-3+
• Isómeros SMILES: C/C=C/C(=O)OC=C
• RTECS: GQ5850000
• PubChem CID: 5365800
• Peso molecular: 112.13
• Beilstein: 2(3)1263
• Reaxy-Rn: 1720679

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: Enol esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water
• Sensibilidad: Heat Sensitive
• Índice de refracción: 1.45
• Punto de inflamación (°F): 32°C(lit.)
• Punto de inflamación (°C): 32°C(lit.)
• Punto de ebullición (°C): 134°C(lit.)
• Punto de fusión (°C): -60 °C
• Peso molecular: 112.130 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 112.052 Da
• Monoisotopic Mass: 112.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 114.000
• 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