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CAS 4221-80-1

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2,4-Di-tert-butylphenyl 3′,5′-di-tert-butyl-4′-hydroxybenzoate

Description:
2,4-Di-tert-butylphenyl 3′,5′-di-tert-butyl-4′-hydroxybenzoate, commonly referred to as a phenolic antioxidant, is a chemical compound characterized by its complex structure that includes multiple tert-butyl groups and a hydroxybenzoate moiety. This compound is primarily utilized in various industrial applications, particularly in the stabilization of polymers and plastics, where it helps to prevent oxidative degradation. Its structure contributes to its effectiveness as an antioxidant, as the bulky tert-butyl groups enhance steric hindrance, making it less susceptible to oxidation. Additionally, the presence of the hydroxy group allows for hydrogen bonding, which can further stabilize the compound. It is typically a solid at room temperature and exhibits low solubility in water but is soluble in organic solvents. Safety data indicates that, like many chemical substances, it should be handled with care, as it may pose health risks upon exposure. Overall, its properties make it valuable in extending the lifespan and performance of various materials in industrial applications.
Formula:C29H42O3
InChI:InChI=1S/C29H42O3/c1-26(2,3)19-13-14-23(20(17-19)27(4,5)6)32-25(31)18-15-21(28(7,8)9)24(30)22(16-18)29(10,11)12/h13-17,30H,1-12H3
InChI key:InChIKey=KJYSXRBJOSZLEL-UHFFFAOYSA-N
SMILES:O(C(=O)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1)C2=C(C(C)(C)C)C=C(C(C)(C)C)C=C2
Synonyms:
  • 2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate
  • Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4-bis(1,1-dimethylethyl)phenyl ester
  • 2′,4′-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate
  • 2,4-Di-tert-butylphenyl 4′-hydroxy-3′,5′-di-tert-butylbenzoate
  • Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, 2,4-di-tert-butylphenyl ester
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