Home Other Building Blocks 2,4,6-Tri-tert-butylphenol

2,4,6-Tri-tert-butylphenol

CAS No.:
732-26-3
Catalog Number:
AG003FOH
Molecular Formula:
C18H30O
Molecular Weight:
262.4302
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$250
- +
Product Description
Catalog Number:
AG003FOH
Chemical Name:
2,4,6-Tri-tert-butylphenol
CAS Number:
732-26-3
Molecular Formula:
C18H30O
Molecular Weight:
262.4302
MDL Number:
MFCD00008821
IUPAC Name:
2,4,6-tritert-butylphenol
InChI:
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
InChI Key:
PFEFOYRSMXVNEL-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
EC Number:
211-989-5
UNII:
99J2VIC675
NSC Number:
14459
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.23g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.437g/mol
Monoisotopic Mass:
262.23g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6  
Literature
Title Journal
In-vivo passive sampling to measure elimination kinetics in bioaccumulation tests. Chemosphere 20120601
The role of low levels of water in the electrochemical oxidation of α-tocopherol (vitamin E) and other phenols in acetonitrile. Physical chemistry chemical physics : PCCP 20110728
Dioxygenase-like reactivity of an isolable superoxo-nickel(II) complex. Chemistry (Weinheim an der Bergstrasse, Germany) 20100816
Mechanisms of cytotoxicity of 2- or 2,6-di-tert-butylphenols and 2-methoxyphenols in terms of inhibition rate constant and a theoretical parameter. Chemosphere 20090201
Evidence for concerted proton-electron transfer in the electrochemical oxidation of phenols with water as proton acceptor. Tri-tert-butylphenol. Journal of the American Chemical Society 20081126
Facile concerted proton-electron transfers in a ruthenium terpyridine-4'-carboxylate complex with a long distance between the redox and basic sites. Journal of the American Chemical Society 20080611
Electron transfer between protonated and unprotonated phenoxyl radicals. The Journal of organic chemistry 20080201
The first crystal structure of a monomeric phenoxyl radical: 2,4,6-tri-tert-butylphenoxyl radical. Chemical communications (Cambridge, England) 20080114
Hydrogen atom abstraction by a high-valent manganese(V)-oxo corrolazine. Inorganic chemistry 20060626
Critical re-evaluation of the O-H bond dissociation enthalpy in phenol. The journal of physical chemistry. A 20050324
C-H bond activation by a ferric methoxide complex: modeling the rate-determining step in the mechanism of lipoxygenase. Journal of the American Chemical Society 20020109
[Determination of 2,4,6-tri-tert-butylphenol and related compounds in foods]. Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan 20011201
Radical production and cytotoxic activity of tert-butyl-substituted phenols. In vitro & molecular toxicology 20010101
Properties