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CAS 998-91-4

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2-Butenoic acid, 3-ethoxy-, ethyl ester

Description:
2-Butenoic acid, 3-ethoxy-, ethyl ester, also known by its CAS number 998-91-4, is an organic compound that belongs to the class of esters. It is characterized by its structure, which includes a butenoic acid backbone with an ethoxy group and an ethyl ester functional group. This compound typically appears as a colorless to pale yellow liquid with a fruity odor, making it potentially useful in flavoring and fragrance applications. It is soluble in organic solvents and exhibits moderate solubility in water. The presence of both the ethoxy and ethyl groups contributes to its reactivity, allowing it to participate in various chemical reactions, such as esterification and transesterification. Additionally, 2-butenoic acid derivatives can be involved in polymerization processes, making them relevant in materials science. Safety data indicates that, like many organic esters, it should be handled with care, as it may cause irritation to the skin and eyes. Proper storage and handling protocols are essential to ensure safety and stability.
Formula:C8H14O3
InChI:InChI=1S/C8H14O3/c1-4-10-7(3)6-8(9)11-5-2/h6H,4-5H2,1-3H3
InChI key:InChIKey=ZOCYCSPSSNMXBU-UHFFFAOYSA-N
SMILES:C(=CC(OCC)=O)(OCC)C
Synonyms:
  • 2-Butenoic acid, 3-ethoxy-, ethyl ester
  • 3-Ethoxy-2-butenoic acid ethyl ester
  • 3-Ethoxy-2-butenoic acid ethyl ester~Ethyl 3-ethoxycrotonate
  • 3-Ethoxycrotonic acid ethyl ester
  • Crotonic acid, 3-ethoxy-, ethyl ester
  • Ethyl 3-Ethoxybut-2-Enoate
  • Ethyl 3-ethoxycrotonate
  • Ethyl β-ethoxycrotonate
  • NSC 224119
  • NSC 2321
  • Ethyl 3-ethoxy-2-butenoate
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