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Details

Stereochemistry ACHIRAL
Molecular Formula C15H24O3
Molecular Weight 252.3493
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-DI-TERT-BUTYL-4-HYDROPEROXY-4-METHYL-2,5-CYCLOHEXADIEN-1-ONE

SMILES

CC(C)(C)C1=CC(C)(OO)C=C(C1=O)C(C)(C)C

InChI

InChIKey=FNLSGYWVCGOYGD-UHFFFAOYSA-N
InChI=1S/C15H24O3/c1-13(2,3)10-8-15(7,18-17)9-11(12(10)16)14(4,5)6/h8-9,17H,1-7H3

HIDE SMILES / InChI

Molecular Formula C15H24O3
Molecular Weight 252.3493
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Protective effect of Hibiscus anthocyanins against tert-butyl hydroperoxide-induced hepatic toxicity in rats.
2000-05
Mitogen-activated protein kinase (MAPK) activation by butylated hydroxytoluene hydroperoxide: implications for cellular survival and tumor promotion.
1996-08-01
Generation of reactive intermediates from the tumor promoter butylated hydroxytoluene hydroperoxide in isolated murine keratinocytes or by hematin.
1989-07
Nonheme iron in sickle erythrocyte membranes: association with phospholipids and potential role in lipid peroxidation.
1988-10
Tumor promotion by a hydroperoxide metabolite of butylated hydroxytoluene, 2,6-di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone, in mouse skin.
1988-09
Cytochrome P-450-catalyzed rearrangement of a peroxyquinol derived from butylated hydroxytoluene. Involvement of radical and cationic intermediates.
1986-10-25
Interaction of cytochrome P-450 with a hydroperoxide derived from butylated hydroxytoluene. Mechanism of isomerization.
1985-09-05
The acute toxicity of butylated hydroxytoluene and its metabolites in mice.
1980-08
Cyclic metabolic pathway of a butylated hydroxytoluene by rat liver microsomal fractions.
1974-12
Ring hydroxylation of di-t-butylhydroxytoluene by rat liver microsomal preparations.
1972-08
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:31:49 GMT 2025
Edited
by admin
on Mon Mar 31 19:31:49 GMT 2025
Record UNII
HK05U8X26D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,5-CYCLOHEXADIEN-1-ONE, 2,6-BIS(1,1-DIMETHYLETHYL)-4-HYDROPEROXY-4-METHYL-
Preferred Name English
2,6-DI-TERT-BUTYL-4-HYDROPEROXY-4-METHYL-2,5-CYCLOHEXADIEN-1-ONE
Systematic Name English
HYDROPEROXIDE, 3,5-DI-TERT-BUTYL-1-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL
Systematic Name English
2,5-CYCLOHEXADIEN-1-ONE, 2,6-DI-TERT-BUTYL-4-HYDROPEROXY-4-METHYL-
Systematic Name English
4-HYDROPEROXY-4-METHYL-2,6-DI-TERT-BUTYL-2,5-CYCLOHEXADIENONE
Systematic Name English
4-METHYL-4-HYDROPEROXY-2,6-DI-TERT-BUTYL-2,5-CYCLOHEXADIENONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20215139
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY
CAS
6485-57-0
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY
PUBCHEM
114687
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY
FDA UNII
HK05U8X26D
Created by admin on Mon Mar 31 19:31:49 GMT 2025 , Edited by admin on Mon Mar 31 19:31:49 GMT 2025
PRIMARY