Ethyl 2-Acetyl-3-ethoxyacrylate - ≥97%(GC) , CAS No.3788-94-1

CAS: 3788-94-1 Cat. No.: E156217 Formula: C₉H₁₄O₄ Peso molecolare: 186.21 Numero EC: 223-259-3

GRADE & PURITY ≥97%(GC)

Synonyms

Ethyl 2-Acetyl-3-ethoxyacrylate | EINECS 223-259-3 | ethyl 2-(ethoxymethylene)-3-oxobutanoate | AKOS023091002 | FNASCUBBFNCFQO-SOFGYWHQSA-N | 2-ETHOXYMETHYLENE-3-OXO-BUTYRIc acid ETHYL ESTER | BBL100041 | ethyl (2E)-2-(ethoxymethylidene)-3-oxobutanoate |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

Ethyl 2-Acetyl-3-ethoxyacrylate | EINECS 223-259-3 | ethyl 2-(ethoxymethylene)-3-oxobutanoate | AKOS023091002 | FNASCUBBFNCFQO-SOFGYWHQSA-N | 2-ETHOXYMETHYLENE-3-OXO-BUTYRIc acid ETHYL ESTER | BBL100041 | ethyl (2E)-2-(ethoxymethylidene)-3-oxobutanoate |

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%(GC)

Nomi e identificatori

• Pubchem Sid: 504762358
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762358
• Sorrisi canonici: CCOC=C(C(=O)C)C(=O)OCC
• IUPAC Name: ethyl (2E)-2-(ethoxymethylidene)-3-oxobutanoate
• InChIKey: FNASCUBBFNCFQO-SOFGYWHQSA-N
• INCHI: 1S/C9H14O4/c1-4-12-6-8(7(3)10)9(11)13-5-2/h6H,4-5H2,1-3H3/b8-6+
• Isomeri SMILES: CCO/C=C(\C(=O)C)/C(=O)OCC
• Peso molecolare: 186.21
• Reaxy-Rn: 774916
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774916&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Beta-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Beta-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta-keto acids and derivatives
• Alternative Parents: Fatty acid esters Alpha-branched alpha,beta-unsaturated ketones Vinylogous esters Enones Enoate esters Acryloyl compounds Ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Beta-keto acid - Fatty acid ester - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Enone - Vinylogous ester - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
• 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.48
• Punto di infiammabilità (°C): 114 °C
• Punto di ebollizione (°C): 266°C
• Peso molecolare: 186.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 186.089 Da
• Monoisotopic Mass: 186.089 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 218.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3788-94-1, the molecular formula is C9H14O4, and the molecular weight is 186.21 g/mol. InChIKey FNASCUBBFNCFQO-SOFGYWHQSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.