Home Other Building Blocks 3,5-Di-tert-butylphenol

3,5-Di-tert-butylphenol

CAS No.:
1138-52-9
Catalog Number:
AG0009PL
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%forsynthesis
In Stock USA
United States
$69
- +
1g
95%forsynthesis
In Stock USA
United States
$121
- +
5g
95%forsynthesis
In Stock USA
United States
$328
- +
25g
95%forsynthesis
In Stock USA
United States
$630
- +
100g
95%forsynthesis
In Stock USA
United States
$1853
- +
Product Description
Catalog Number:
AG0009PL
Chemical Name:
3,5-Di-tert-butylphenol
CAS Number:
1138-52-9
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
MDL Number:
MFCD00008829
IUPAC Name:
3,5-ditert-butylphenol
InChI:
InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3
InChI Key:
ZDWSNKPLZUXBPE-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C
EC Number:
214-513-4
UNII:
F4SMH8G9W7
NSC Number:
68209
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Combining the benefits of homogeneous and heterogeneous catalysis with tunable solvents and nearcritical water. Molecules (Basel, Switzerland) 20101116
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Combining homogeneous catalysis with heterogeneous separation using tunable solvent systems. The journal of physical chemistry. A 20100325
Photoinduced energy transfer processes within dyads of metallophthalocyanines compactly fused to a ruthenium(II) polypyridine chromophore. The Journal of organic chemistry 20070928
Models for the molybdenum hydroxylases: synthesis, characterization and reactivity of cis-oxosulfido-Mo(VI) complexes. Journal of the American Chemical Society 20060111
Dye-sensitized photooxygenation of the C=N bond. 5. substituent effects on the cleavage of the C=N bond of C-aryl-N-aryl-N-methylhydrazones. The Journal of organic chemistry 20050527
4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor. Journal of medicinal chemistry 20020718
[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
Autoxidation of substituted phenols catalyzed by cobalt Schiff base complexes in supercritical carbon dioxide. Inorganic chemistry 20010702
Properties