Cas no 23050-96-6 (3-tert-Butyl-5-methylsalicylic Acid)

3-tert-Butyl-5-methylsalicylic Acid is a substituted salicylic acid derivative characterized by the presence of a tert-butyl group at the 3-position and a methyl group at the 5-position of the aromatic ring. This structural modification enhances its steric and electronic properties, making it a valuable intermediate in organic synthesis and pharmaceutical applications. The compound exhibits improved stability and solubility compared to unsubstituted salicylic acid, facilitating its use in specialized chemical reactions. Its functional groups allow for further derivatization, enabling the development of fine chemicals, ligands, or bioactive molecules. The product is typically supplied in high purity, ensuring consistency in research and industrial processes.
3-tert-Butyl-5-methylsalicylic Acid structure
23050-96-6 structure
Product Name:3-tert-Butyl-5-methylsalicylic Acid
CAS No:23050-96-6
MF:C12H16O3
MW:208.253643989563
CID:251664
PubChem ID:3736139
Update Time:2025-10-29

3-tert-Butyl-5-methylsalicylic Acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3-(1,1-dimethylethyl)-2-hydroxy-5-methyl-
    • 3-tert-butyl-2-hydroxy-5-methylbenzoic acid
    • 2,5-Cresoticacid, 3-tert-butyl- (8CI)
    • 3-tert-Butyl-5-methylsalicylic acid
    • 23050-96-6
    • 3-tertiary butyl-5-methylsalicylic acid
    • DTXSID90395730
    • 3-Tert-butyl-5-methylsalicylicacid
    • AKOS009278421
    • SCHEMBL215461
    • WPFOUMKVNYDAOU-UHFFFAOYSA-N
    • 3-tert-Butyl-5-methylsalicylic Acid
    • Inchi： 1S/C12H16O3/c1-7-5-8(11(14)15)10(13)9(6-7)12(2,3)4/h5-6,13H,1-4H3,(H,14,15)
    • InChI Key： WPFOUMKVNYDAOU-UHFFFAOYSA-N
    • SMILES： OC1C(C(=O)O)=CC(C)=CC=1C(C)(C)C

Computed Properties

  • Exact Mass: 208.10998
  • Monoisotopic Mass: 208.11
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 5.3
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • PSA: 57.53

3-tert-Butyl-5-methylsalicylic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B415716-100mg
3-tert-Butyl-5-methylsalicylic Acid
 23050-96-6
100mg
 $ 64.00 2023-04-18
TRC
B415716-250mg
3-tert-Butyl-5-methylsalicylic Acid
 23050-96-6
250mg
 $ 75.00 2023-04-18

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