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

Name: 3-(3,5-Di-tert-butyl-4-hydroxyphenyl)propionic acid
SKU: ACM20170325
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Catalog NumberACM20170325

CAS Number20170-32-5

CategoryPlastic Additives

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

IUPAC Name

3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid

Molecular Weight

278.4g/mol

Molecular Formula

C17H26O3

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

EC Number

243-556-1

Exact Mass

278.188195g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

4-hydroxy-3,5-di-tert-butylphenylpropionic acid;beta-(4-hydroxy-3,5-di-tert-butyl)phenylpropionic acid;beta-(4-hydroxy-3,5-di-tert-butyl)phenylpropionic acid, potassium salt;beta-(4-hydroxy-3,5-di-tert-butylphenyl)propionic acid;beta-(4-hydroxy-3,5-di-tertbutylphenyl) propionic acid;fenozan;fenozan, monolithium salt;fenozan, monopotassium salt;fenozan, monosodium salt;fenozan, nickel (2+) salt (2:1);fenozan-K;phenozan;potassium fenozan;potassium phenosan

Monoisotopic Mass

278.188195g/mol

Rotatable Bond Count

UNII

X6G09G700F

XLogP3

4.7

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