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Details

Stereochemistry ACHIRAL
Molecular Formula C18H30O
Molecular Weight 262.4302
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4,6-TRI-TERT-BUTYLPHENOL

SMILES

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

InChI

InChIKey=PFEFOYRSMXVNEL-UHFFFAOYSA-N
InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3

HIDE SMILES / InChI

Molecular Formula C18H30O
Molecular Weight 262.4302
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
[Determination of 2,4,6-tri-tert-butylphenol and related compounds in foods].
2001 Dec
Critical re-evaluation of the O-H bond dissociation enthalpy in phenol.
2005 Mar 24
Hydrogen atom abstraction by a high-valent manganese(V)-oxo corrolazine.
2006 Jun 26
Electron transfer between protonated and unprotonated phenoxyl radicals.
2008 Feb 1
The first crystal structure of a monomeric phenoxyl radical: 2,4,6-tri-tert-butylphenoxyl radical.
2008 Jan 14
Facile concerted proton-electron transfers in a ruthenium terpyridine-4'-carboxylate complex with a long distance between the redox and basic sites.
2008 Jun 11
Evidence for concerted proton-electron transfer in the electrochemical oxidation of phenols with water as proton acceptor. Tri-tert-butylphenol.
2008 Nov 26
Mechanisms of cytotoxicity of 2- or 2,6-di-tert-butylphenols and 2-methoxyphenols in terms of inhibition rate constant and a theoretical parameter.
2009 Feb
Dioxygenase-like reactivity of an isolable superoxo-nickel(II) complex.
2010 Aug 16
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:48:40 GMT 2023
Edited
by admin
on Fri Dec 15 17:48:40 GMT 2023
Record UNII
99J2VIC675
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4,6-TRI-TERT-BUTYLPHENOL
Systematic Name English
2,4,6-TRIS(1,1-DIMETHYLETHYL)PHENOL [HSDB]
Common Name English
NSC-14459
Code English
2,4,6-TRIS(TERT-BUTYL)PHENOL
Systematic Name English
PHENOL, 2,4,6-TRIS(1,1-DIMETHYLETHYL)-
Common Name English
TRI-TERT-BUTYLPHENOL, 2,4,6-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID2021311
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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RS_ITEM_NUM
1696164
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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CAS
732-26-3
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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NSC
14459
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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MESH
C019584
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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ECHA (EC/EINECS)
211-989-5
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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FDA UNII
99J2VIC675
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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WIKIPEDIA
2,4,6-Tri-tert-butylphenol
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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HSDB
7727
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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PUBCHEM
12902
Created by admin on Fri Dec 15 17:48:40 GMT 2023 , Edited by admin on Fri Dec 15 17:48:40 GMT 2023
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