Ethyl 2,3-Butadienoate - ≥95%(GC) , CAS No.14369-81-4

CAS: 14369-81-4 Cat. No.: E156341 Formule: C₆H₈O₂ Poids moléculaire: 112.13 Beilstein Registry Number: 2(4)1692 Numéro CE: 627-301-5

GRADE & PURITY ≥95%(GC)

Synonyms

2,3-Butadienoic Acid Ethyl Ester | GLSUOACRAMLJIW-UHFFFAOYSA-N | SY051321 | ETHYL 2 3-BUTADIENOATE 95 | 2,3-Butadienoic acid, ethyl ester | MFCD01863567 | T71774 | Ethyl Buta-2,3-dienoate | Ethyl 2,3-butadienoate | Ethyl 2,3-butadienoate, 95% | E0820 | D

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

2,3-Butadienoic Acid Ethyl Ester | GLSUOACRAMLJIW-UHFFFAOYSA-N | SY051321 | ETHYL 2 3-BUTADIENOATE 95 | 2,3-Butadienoic acid, ethyl ester | MFCD01863567 | T71774 | Ethyl Buta-2,3-dienoate | Ethyl 2,3-butadienoate | Ethyl 2,3-butadienoate, 95% | E0820 | D

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Protected from light,Store at -20°C,Argon charged,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%(GC)

Noms et identifiants

• Sourires canoniques: CCOC(=O)C=C=C
• InChIKey: GLSUOACRAMLJIW-UHFFFAOYSA-N
• INCHI: 1S/C6H8O2/c1-3-5-6(7)8-4-2/h5H,1,4H2,2H3
• Isomères SMILES: CCOC(=O)C=C=C
• WGK Allemagne: 3
• Poids moléculaire: 112.13
• Beilstein: 2(4)1692
• Reaxy-Rn: 1747205
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1747205&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light Sensitive,Air Sensitive,Heat Sensitive
• Indice de réfraction: 1.46
• Point d'éclair (°F): 116.6 °F
• Point d'éclair (°C): 47 °C
• Point d'ébullition (°C): 80 °C/60 mmHg
• Poids moléculaire: 112.130 g/mol
• XLogP3: 0.700
• 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: 120.000
• 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