Ethyl 4-methyl-4-pentenoate - ≥97% , CAS No.4911-54-0

CAS: 4911-54-0 Cat. No.: E294295 Summenformel: C₈H₁₄O₂ Molekulargewicht: 142.2 EG-Nummer: 628-344-2

GRADE & PURITY ≥97%

Synonyms

SY075853 | Ethyl 4-methyl-pent-4-en-1-oate | AKOS024257293 | SCHEMBL932338 | MFCD00075160 | FT-0736104 | 4-methyl-pent-4-enoic acid ethyl ester | Ethyl4-methylpent-4-enoate | Ethyl 4-methyl-4-pentenoate, 95% | Ethyl 4-methyl-4-pentenoate | Ethyl 4-methylp

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Ethyl 4-methyl-4-pentenoate is an olefin ester. It undergoes iron carbonyl-promoted isomerization to α,β-unsaturated esters. Reaction of ethyl 4-methyl-4-pentenoate with CH₃OBOCH₃⁺ was examined in a small Fourier-transform ion cyclotron resonance mass spectrometer equipped with a permanent magnet.

Specifications

Synonyme

SY075853 | Ethyl 4-methyl-pent-4-en-1-oate | AKOS024257293 | SCHEMBL932338 | MFCD00075160 | FT-0736104 | 4-methyl-pent-4-enoic acid ethyl ester | Ethyl4-methylpent-4-enoate | Ethyl 4-methyl-4-pentenoate, 95% | Ethyl 4-methyl-4-pentenoate | Ethyl 4-methylp

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CCOC(=O)CCC(=C)C

IUPAC Name

ethyl 4-methylpent-4-enoate

InChIKey

RRTBSPBUHUUTHR-UHFFFAOYSA-N

INCHI

1S/C8H14O2/c1-4-10-8(9)6-5-7(2)3/h2,4-6H2,1,3H3

Isomere SMILES

CCOC(=O)CCC(=C)C

WGK Deutschland

3

UN-Nummer

3272

Verpackungsgruppe

III

Molekulargewicht

142.2

Reaxy-Rn

1756389

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1756389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20/D 1.425 (lit.)
• Flammpunkt (°F): 136.4°F
• Flammpunkt (°C): 58 °C
• Siedepunkt (°C): 85 °C/20 mmHg (lit.)
• Molekulargewicht: 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: 127.000
• 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