3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid

• CAS: 20170-32-5
• Catalog Number: ACM20170325
• Category: Other Products
• Molecular Weight: 278.4g/mol
• Molecular Formula: C17H26O3
• IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O
• InChI: InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)
• InChI Key: WPMYUUITDBHVQZ-UHFFFAOYSA-N
• Application: 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid serves as a crucial pharmaceutical intermediate, primarily utilized in the synthesis of antioxidants. Its derivatives, particularly those based on methyl esters, are widely recognized as effective phenolic stabilizers. These compounds are produced through ester exchanges involving polyatomic alcohols, with pentaerythritol tetrakis-3-(3',5'-di-tert-butyl-4'-hydroxyphenyl) propionate being among the most significant. Extensive research on the catalysis and technology of these derivatives has been conducted, highlighting their utility. In particular, 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid can be used to modify esters with antioxidant properties, making them beneficial in various applications, such as lubricating oils and cutting compounds, due to their dual function as both antioxidants and lubricants.
• Complexity: 311
• Covalently-Bonded Unit Count: 1
• EC Number: 243-556-1
• Exact Mass: 278.188195g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 20
• Monoisotopic Mass: 278.188195g/mol
• Rotatable Bond Count: 5
• UNII: X6G09G700F
• XLogP3: 4.7