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Substance Name: 3,5-Di-tert-butyl-4-hydroxybenzoic acid
RN: 1421-49-4
UNII: 9F0I7YAG34
InChIKey: YEXOWHQZWLCHHD-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H22-O3

Molecular Weight

  • 250.336
 
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Names and Synonyms

Name of Substance

  • 3,5-Di-tert-butyl-4-hydroxybenzoic acid

Synonyms

  • 3,5-Di-t-butyl-4-hydroxybenzoic acid
  • 3,5-Di-tert-butyl-4-hydroxybenzoic acid
  • 4-10-00-00765 (Beilstein Handbook Reference)
  • Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-
  • BRN 2216948
  • EINECS 215-823-2
  • UNII-9F0I7YAG34

Systematic Names

  • 3,5-Bis-tert-butyl-4-hydroxybenzoic acid
  • Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
  • Benzoic acid, 3,5-di-tert-butyl-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 1421-49-4

FDA UNII

  • 9F0I7YAG34

Related Registry Numbers

  • 52625-25-9 (nickel(2+)salt(2:1))
  • 68698-64-6 (mono-potassium salt)

System Generated Number

  • 0001421494

Structure Descriptors

InChI

1S/C15H22O3/c1-14(2,3)10-7-9(13(17)18)8-11(12(10)16)15(4,5)6/h7-8,16H,1-6H3,(H,17,18)

InChIKey

YEXOWHQZWLCHHD-UHFFFAOYSA-N

Smiles

c1(c(c(cc(c1)C(O)=O)C(C)(C)C)O)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1414mg/kg (1414mg/kg) BEHAVIORAL: TREMOR

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0556382,