Cas no 882305-14-8 (ethyl 2-isobutylthiazole-4-carboxylate)

Ethyl 2-isobutylthiazole-4-carboxylate is a thiazole derivative with applications in organic synthesis and flavor/fragrance industries. Its structure combines a thiazole core with an ester functional group, offering reactivity for further chemical modifications. The isobutyl substituent enhances lipophilicity, making it suitable for hydrophobic formulations. This compound is valued for its role as a flavoring agent, contributing to green, herbal, or fruity notes in food and fragrance products. It also serves as a versatile intermediate in pharmaceutical and agrochemical synthesis. The ethyl ester group provides stability while allowing hydrolysis or transesterification for downstream applications. Its well-defined structure ensures consistent performance in synthetic pathways.
ethyl 2-isobutylthiazole-4-carboxylate structure
882305-14-8 structure
Product Name:ethyl 2-isobutylthiazole-4-carboxylate
CAS No:882305-14-8
MF:C10H15NO2S
MW:213.29660153389
MDL:MFCD17018493
CID:710328
PubChem ID:11608194
Update Time:2025-11-02

ethyl 2-isobutylthiazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxylicacid, 2-(2-methylpropyl)-, ethyl ester
    • 4-Thiazolecarboxylicacid,2-(2-methylpropyl)-,ethylester(9CI)
    • ethyl 2-isobutyl-1,3-thiazole-4-carboxylate
    • ethyl 2-isobutylthiazole-4-carboxylate
    • SCHEMBL2138607
    • DIJHMSPHFZFWJS-UHFFFAOYSA-N
    • Ethyl 2-(2-methylpropyl)-1,3-thiazole-4-carboxylate
    • 4-Thiazolecarboxylic acid, 2-(2-methylpropyl)-, ethyl ester
    • DB-108755
    • Ethyl2-isobutylthiazole-4-carboxylate
    • 882305-14-8
    • AS-40937
    • AKOS017459672
    • MFCD17018493
    • MDL: MFCD17018493
    • Inchi: 1S/C10H15NO2S/c1-4-13-10(12)8-6-14-9(11-8)5-7(2)3/h6-7H,4-5H2,1-3H3
    • InChI Key: DIJHMSPHFZFWJS-UHFFFAOYSA-N
    • SMILES: S1C=C(C(=O)OCC)N=C1CC(C)C

Computed Properties

  • Exact Mass: 213.08200
  • Monoisotopic Mass: 213.08234989g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 197
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • PSA: 67.43000
  • LogP: 2.51830

ethyl 2-isobutylthiazole-4-carboxylate Pricemore >>

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