Cas no 66232-34-6 (4-tert-Butyl-2-hydroxybenzaldehyde)

4-tert-Butyl-2-hydroxybenzaldehyde is a substituted benzaldehyde derivative featuring a tert-butyl group at the para position and a hydroxyl group at the ortho position relative to the formyl functionality. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the preparation of fragrances, pharmaceuticals, and specialty chemicals. Its sterically hindered tert-butyl group enhances stability, while the ortho-hydroxyl group enables chelation and further functionalization. The compound exhibits moderate solubility in organic solvents, facilitating its use in various reaction conditions. Its structural features make it valuable for synthesizing complex molecules, including ligands and heterocyclic compounds, with applications in catalysis and material science.
4-tert-Butyl-2-hydroxybenzaldehyde structure
66232-34-6 structure
Product Name:4-tert-Butyl-2-hydroxybenzaldehyde
CAS No:66232-34-6
MF:C11H14O2
MW:178.227663516998
MDL:MFCD06412558
CID:58447
PubChem ID:13765272
Update Time:2025-08-04

4-tert-Butyl-2-hydroxybenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-tert-Butyl-2-hydroxybenzaldehyde
    • 4-tert-Butylsalicylaldehyde
    • 4-(tert-Butyl)-2-hydroxybenzaldehyde
    • 2-hydroxy-4-t-butylbenzaldehyde
    • 2-hydroxy-4-tert-butylbenzaldehyde
    • 4-tert-Butylsalicylaldehid
    • CS-0106379
    • 3-Pyridinecarboxylicacid2-[[3-(trifluoromethyl)phenyl]-amino]-2-(4-morpholinyl)-ethylester
    • AKOS006345722
    • A835379
    • AMY31510
    • 4-tert-Butyl-2-hydroxybenzaldehyde, AldrichCPR
    • 66232-34-6
    • UYRSLWPKZKASRB-UHFFFAOYSA-N
    • PS-8556
    • 2-hydroxy-4-tert.butylbenzaldehyde
    • W-200269
    • EN300-7368101
    • 4-tert-Butylsalicylaldehy
    • SCHEMBL1527058
    • AC-771
    • DTXSID30548849
    • 4-t-butyl salicylaldehyde
    • MFCD06412558
    • FT-0600663
    • 2-hydroxy-4-tert.butyl-benzaldehyde
    • 4-tert-butyl-2-hydroxy benzaldehyde
    • 4-tert-butyl-2-hydroxy-benzaldehyde
    • Z1201623529
    • DTXCID60499633
    • MDL: MFCD06412558
    • Inchi: 1S/C11H14O2/c1-11(2,3)9-5-4-8(7-12)10(13)6-9/h4-7,13H,1-3H3
    • InChI Key: UYRSLWPKZKASRB-UHFFFAOYSA-N
    • SMILES: OC1=C(C=O)C=CC(=C1)C(C)(C)C

Computed Properties

  • Exact Mass: 178.09900
  • Monoisotopic Mass: 178.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 181
  • 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: 3.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 1.072
  • Boiling Point: 262.916 °C at 760 mmHg
  • Flash Point: 262.916 °C at 760 mmHg
  • Refractive Index: 1.554
  • PSA: 37.30000
  • LogP: 2.50220

4-tert-Butyl-2-hydroxybenzaldehyde Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xi

4-tert-Butyl-2-hydroxybenzaldehyde Pricemore >>

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abcr
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4-tert-Butyl-2-hydroxybenzaldehyde Related Literature

Additional information on 4-tert-Butyl-2-hydroxybenzaldehyde

4-tert-Butyl-2-hydroxybenzaldehyde (CAS No. 66232-34-6): A Versatile Compound in Pharmaceutical and Material Sciences

4-tert-Butyl-2-hydroxybenzaldehyde, a derivative of 2-hydroxybenzaldehyde, is a critical compound in modern pharmaceutical development and material science innovation. With its unique chemical structure and functional groups, this compound has garnered significant attention in recent years for its potential applications in drug discovery, polymer synthesis, and biological activity modulation. The CAS No. 66232-34-6 identifier ensures precise identification of this molecule, which is essential for chemical safety, research reproducibility, and regulatory compliance. This article provides a comprehensive overview of the chemical properties, synthetic pathways, and biological significance of 4-tert-Butyl-2-hydroxybenzaldehyde, while highlighting its role in cutting-edge pharmaceutical research and material science applications.

4-tert-Butyl-2-hydroxybenzaldehyde is a substituted aromatic aldehyde with a hydroxyl group at the 2-position and a tert-butyl group at the 4-position. The presence of the tert-butyl group introduces steric hindrance, which can significantly influence the compound’s reactivity and stability. The hydroxyl group imparts hydrophilicity, while the aldehyde functional group offers opportunities for further chemical modifications. These structural features make 4-tert-Butyl-2-hydroxybenzaldehyde a valuable building block in the synthesis of complex molecules, particularly in the development of pharmaceutical agents and <

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