2,6-DI-TERT-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H22O
Molecular Weight	218.3346
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,6-DI-TERT-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE

SMILES

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

InChI

InChIKey=JJQCWPWUHZFKBN-UHFFFAOYSA-N

InChI=1S/C15H22O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9H,1H2,2-7H3

HIDE SMILES / InChI

Molecular Formula	C15H22O
Molecular Weight	218.3346
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Responses of tumorigenic and non-tumorigenic mouse lung epithelial cell lines to electrophilic metabolites of the tumor promoter butylated hydroxytoluene.	2003 Mar 6	12606153
Inhibition of glutathione S-transferase P1-1 in mouse lung epithelial cells by the tumor promoter 2,6-di-tert-butyl-4-methylene-2,5-cyclohexadienone (BHT-quinone methide): protein adducts investigated by electrospray mass spectrometry.	2004 Dec	15606144
Immunochemical and proteomic analysis of covalent adducts formed by quinone methide tumor promoters in mouse lung epithelial cell lines.	2005 Oct	16533022
Carbonyl reductase inactivation may contribute to mouse lung tumor promotion by electrophilic metabolites of butylated hydroxytoluene: protein alkylation in vivo and in vitro.	2008 Aug	18597497

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Patents

Substance Class	Chemical
Record UNII	49860VI52B
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

2,5-CCYCLOHEXADIEN-1-ONE, 2,6-BIS(1,1-DIMETHYLETHYL)-4- METHYLENE-

Preferred Name

English

2,6-DI-TERT-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE

Systematic Name

English

BHT-QUINONE METHIDE

Common Name

English

2,6-BIS(1,1-DIMETHYLETHYL)-4-METHYLENE-2,5-CYCLOHEXADIEN-1- ONE

Systematic Name

English

2,6-DI-T-BUTYL-4-METHYLENE-2,5-CYCLOHEXADIENONE

Systematic Name

English

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Code System

Code

Type

Description

EPA CompTox

DTXSID70180707

PRIMARY

CAS

2607-52-5

PRIMARY

PUBCHEM

107736

PRIMARY

FDA UNII

49860VI52B

PRIMARY

MESH

C024709

PRIMARY

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Related Record

Type

Details


					1P9D0Z171K

Butylated hydroxytoluene

PARENT -> METABOLITE

Amount:

Showing 1 to 1 of 1 entries

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