Ethyl (E)-3-Ethoxyacrylate - ≥96% , CAS No.5941-55-9

CAS: 5941-55-9 Cat. No.: E589599 Formule: C₇H₁₂O₃ Poids moléculaire: 144.17 Numéro CE: 611-826-1

GRADE & PURITY ≥96%

Synonyms

3-01-00-02186 (Beilstein Handbook Reference) | Ethyl 3-ethoxyacrylate | MFCD00009863 | WT67QB527H | ethyl 3-ethoxyprop-2-enoate | J-000050 | 2-Propenoic acid, 3-ethoxy-, ethyl ester | Ethyl trans-3-ethoxyacrylate,98 | TRANS-ETHYL 3-ETHOXYACRYLATE | AKOS00

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

3-01-00-02186 (Beilstein Handbook Reference) | Ethyl 3-ethoxyacrylate | MFCD00009863 | WT67QB527H | ethyl 3-ethoxyprop-2-enoate | J-000050 | 2-Propenoic acid, 3-ethoxy-, ethyl ester | Ethyl trans-3-ethoxyacrylate,98 | TRANS-ETHYL 3-ETHOXYACRYLATE | AKOS00

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

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

Pureté

≥96%

Noms et identifiants

• Pubchem Sid: 508806605
• Sourires canoniques: CCOC=CC(=O)OCC
• IUPAC Name: ethyl (E)-3-ethoxyprop-2-enoate
• InChIKey: ITQFPVUDTFABDH-AATRIKPKSA-N
• INCHI: 1S/C7H12O3/c1-3-9-6-5-7(8)10-4-2/h5-6H,3-4H2,1-2H3/b6-5+
• Isomères SMILES: CCO/C=C/C(=O)OCC
• Poids moléculaire: 144.17
• Reaxy-Rn: 1721612
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721612&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Acrylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Acrylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Acrylic acids and derivatives
• Alternative Parents: Vinylogous esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acrylic acid or derivatives - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 acrylic acids and derivatives. These are organic compounds containing acrylic acid CH2=CHCO2H or a derivative thereof.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.4460
• Point d'éclair (°F): 176°F
• Point d'éclair (°C): 80°C
• Point d'ébullition (°C): 191-192°C
• Point de fusion (°C): -34°C
• Poids moléculaire: 144.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 144.079 Da
• Monoisotopic Mass: 144.079 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 118.000
• 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