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

CAS Registry Number®

4221-80-1
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CAS Name

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

Molecular Formula

C29H42O3

Molecular Mass

438.64

Cite this Page

2,4-Di-tert-butylphenyl 3′,5′-di-tert-butyl-4′-hydroxybenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4221-80-1 (retrieved 2024-07-08) (CAS RN: 4221-80-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191-192 °C

Source(s)

Other Names and Identifiers

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

InChIKey

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

Canonical SMILES

O=C(OC1=CC=C(C=C1C(C)(C)C)C(C)(C)C)C=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C

Other Names for this Substance

  • Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4-bis(1,1-dimethylethyl)phenyl ester
  • Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-, 2,4-di-tert-butylphenyl ester
  • 2,4-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate
  • 2′,4′-Di-tert-butylphenyl 3,5-di-tert-butyl-4-hydroxybenzoate
  • 2,4-Di-tert-butylphenyl 4′-hydroxy-3′,5′-di-tert-butylbenzoate

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Deleted or Replaced CAS Registry Numbers

68822-27-5, 71958-80-0, 107528-48-3, 114757-48-1, 122304-64-7, 1262872-66-1