Propiolate d'éthyle - ≥98%(GC) , CAS No.623-47-2

CAS: 623-47-2 Cat. No.: E107738 Formule: HC≡CCO₂C₂H₅ Poids moléculaire: 98.10 Beilstein Registry Number: 878250 Numéro CE: 210-795-8

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

ETHYL PROPIOLATE [MI] | Ethyl propiolate; | Ethyl propiolate, 99% | W235G5U52S | A833725 | Ethyl 2-propynoate | ethyl propalate | F0001-1671 | Propynoic Acid Ethyl Ester | AI3-37704 | ethyl propargylate | prop-2-ynoic acid ethyl ester | J-521279 | Q271227

Storage

Stocker à 2-8°C, chargé d'argon

Shipped In

Glace humide

Spécifications

Synonymes

ETHYL PROPIOLATE [MI] | Ethyl propiolate; | Ethyl propiolate, 99% | W235G5U52S | A833725 | Ethyl 2-propynoate | ethyl propalate | F0001-1671 | Propynoic Acid Ethyl Ester | AI3-37704 | ethyl propargylate | prop-2-ynoic acid ethyl ester | J-521279 | Q271227

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Stocker à 2-8°C, chargé d'argon

Expédié en

Glace humide

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504752276

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752276

Sourires canoniques

CCOC(=O)C#C

IUPAC Name

ethyl prop-2-ynoate

InChIKey

FMVJYQGSRWVMQV-UHFFFAOYSA-N

INCHI

1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3

Isomères SMILES

CCOC(=O)C#C

WGK Allemagne

3

Numéro ONU

3272

Poids moléculaire

98.10

Beilstein

878250

Reaxy-Rn

878250

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878250&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Ynoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Ynoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Acetylides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ynoate ester - Acetylide - 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 ynoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C#CC(=O)OR2 (R2= organyl compound) in which the ester C=O function is conjugated to a C#C double bond at the alpha,beta position.
• External Descriptors: terminal acetylenic compound - ethyl ester - ynoate ester

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

Cibles associées (non humaines)

Tetrahymena pyriformis (68 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Miscible with alcohol.
• Sensibilité: Air sensitive
• Indice de réfraction: 1.412
• Point d'éclair (°F): 77 °F
• Point d'éclair (°C): 25 °C
• Point d'ébullition (°C): 120°C
• Point de fusion (°C): 9°C
• Poids moléculaire: 98.100 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 98.0368 Da
• Monoisotopic Mass: 98.0368 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 106.000
• 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

Foire aux questions

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

This product is supplied at ≥98% 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 623-47-2, the molecular formula is C5H6O2, and the molecular weight is 98.10 g/mol. InChIKey FMVJYQGSRWVMQV-UHFFFAOYSA-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.