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Atomfair Ethyl propiolate C5H6O2 CAS 623-47-2

Ethyl Propiolate (CAS 623-47-2) is a highly reactive alkyne ester with the molecular formula C5H6O2. This clear to pale yellow liquid is widely used in organic synthesis due to its terminal alkyne functionality and ester group, making it a versatile building block for pharmaceuticals, agrochemicals, and specialty materials. Ethyl propiolate, also known as ethyl prop-2-ynoate or ethyl acetylenecarboxylate , is characterized by its sharp odor and low boiling point (≈125-127°C). It is sensitive to moisture and air, requiring storage under inert conditions. With a density of ~0.98 g/mL at 25°C, this compound is soluble in common organic solvents like ethanol,…

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Description

Ethyl Propiolate (CAS 623-47-2) is a highly reactive alkyne ester with the molecular formula C5H6O2. This clear to pale yellow liquid is widely used in organic synthesis due to its terminal alkyne functionality and ester group, making it a versatile building block for pharmaceuticals, agrochemicals, and specialty materials. Ethyl propiolate, also known as ethyl prop-2-ynoate or ethyl acetylenecarboxylate, is characterized by its sharp odor and low boiling point (≈125-127°C). It is sensitive to moisture and air, requiring storage under inert conditions. With a density of ~0.98 g/mL at 25°C, this compound is soluble in common organic solvents like ethanol, ether, and dichloromethane but immiscible with water. Researchers value its role in click chemistry, Michael additions, and cycloaddition reactions.

Properties

  • CAS Number: 623-47-2
  • Complexity: 106
  • IUPAC Name: ethyl prop-2-ynoate
  • InChI: InChI=1S/C5H6O2/c1-3-5(6)7-4-2/h1H,4H2,2H3
  • InChI Key: FMVJYQGSRWVMQV-UHFFFAOYSA-N
  • Exact Mass: 98.036779430
  • Molecular Formula: C5H6O2
  • Molecular Weight: 98.10
  • SMILES: CCOC(=O)C#C
  • Topological: 26.3
  • Monoisotopic Mass: 98.036779430
  • Physical Description: Colorless liquid with a pungent odor; mp = 9 deg C;
  • Synonyms: Ethyl propiolate, 623-47-2, ethyl prop-2-ynoate, Ethyl acetylenecarboxylate, 2-Propynoic acid, ethyl ester, ETHYL PROPYNOATE, Ethyl 2-propynoate, Propiolic acid ethyl ester, (Ethoxycarbonyl)acetylene, 2-propynoic acid ethyl ester, CHEBI:51740, W235G5U52S, EINECS 210-795-8, NSC-60551, ETHYL PROPIOLATE [MI], AI3-37704, DTXSID80211359, ETHYL ACETYLENEMONOCARBOXYLATE, NSC 60551, 2Propynoic acid, ethyl ester, DTXCID30133850, 210-795-8, ethyl propargylate, Propargylic Acid Ethyl Ester, Propiolic acid, ethyl ester, MFCD00009184, Propynoic Acid Ethyl Ester, 31762-50-2, UNII-W235G5U52S, ethyl propioloate, ethanol propiolate, ethyl propio late, ethyl propio-late, ethyl-2-propynate, Ethyl propiolate, 99%, CHEMBL53384, SCHEMBL125800, prop-2-ynoic acid ethyl ester, SCHEMBL1387203, SCHEMBL7731787, ALBB-013040, NSC60551, STR01248, BBL104247, SBB060344, STL197580, AKOS005173738, FE02350, DB-254734, CS-0015842, NS00035015, P0529, ST51046542, EN300-20562, A833725, Q27122726, F0001-1671, Z104478880

Application

Ethyl propiolate serves as a key intermediate in the synthesis of heterocyclic compounds and conjugated polymers. It is employed in pharmaceutical research for creating acetylene-based drug candidates and prodrugs. The compound’s reactivity also makes it valuable for modifying biomolecules in bioconjugation studies. Additionally, it is used in material science to develop advanced coatings and adhesives with tailored properties.

Safety and Hazards

GHS Hazard Statements

  • H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]
  • H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
  • H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
  • H335 (94.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

  • P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

  • Flam. Liq. 3 (98.1%)
  • Skin Irrit. 2 (100%)
  • Eye Irrit. 2 (100%)
  • STOT SE 3 (94.3%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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