Ethyl 2-methyl-4-pentenoate - ≥98%, stabilized with DL-α-Tocopherol , CAS No.53399-81-8

CAS: 53399-81-8 Cat. No.: E156157 Fórmula: C₈H₁₄O₂ Peso molecular: 142.20 Beilstein Registry Number: 2(4)1570 Número EC: 258-520-0

GRADE & PURITY ≥98%, stabilized with DL-α-Tocopherol

Synonyms

Ethyl 2-methyl-4-pentenoate, >=98%, FG | DTXSID00866320 | Ethyl 2-methylpent-4-en-1-oate | UNII-F7GX41R904 | Ethyl 2-methyl-4-pentenoate | ETHYL-2-METHYL-4-PENTENOATE | LMFA07010859 | FEMA 3489 | MFCD00010235 | Ethyl 2-methyl-4-pentenoate, 98% | FT-074012

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Ethyl 2-methyl-4-pentenoate, >=98%, FG | DTXSID00866320 | Ethyl 2-methylpent-4-en-1-oate | UNII-F7GX41R904 | Ethyl 2-methyl-4-pentenoate | ETHYL-2-METHYL-4-PENTENOATE | LMFA07010859 | FEMA 3489 | MFCD00010235 | Ethyl 2-methyl-4-pentenoate, 98% | FT-074012

Especificaciones y pureza

≥98%, stabilized with DL-α-Tocopherol

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

≥98%

Nombres e identificadores

Sonrisas canónicas

CCOC(=O)C(C)CC=C

IUPAC Name

ethyl 2-methylpent-4-enoate

InChIKey

BDBGKYIBDXAVMX-UHFFFAOYSA-N

INCHI

1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3

Isómeros SMILES

CCOC(=O)C(C)CC=C

WGK Alemania

3

Peso molecular

142.20

Beilstein

2(4)1570

Reaxy-Rn

1753406

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1753406&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: Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid 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

• Sensibilidad: heat sensitive
• Índice de refracción: 1.42
• Punto de inflamación (°F): 105.8 °F
• Punto de inflamación (°C): 41°C(lit.)
• Punto de ebullición (°C): 155°C(lit.)
• Peso molecular: 142.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 142.099 Da
• Monoisotopic Mass: 142.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 118.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1