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T49409

Sigma-Aldrich

2,4,6-Tri-tert-butylphenol

98%

Synonym(s):

2,4,6-Tri-t-butylphenol, 2,4,6-Tri-tert-butyl-1-hydroxybenzene, 2,4,6-Tris(1,1-dimethylethyl)phenol, 2,4,6-Tris(tert-butyl)phenol, 2,4,6-Tritert-butylphenol

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About This Item

Linear Formula:
[(CH3)3C]3C6H2OH
CAS Number:
732-26-3
Molecular Weight:
262.43
Beilstein:
1913256
EC Number:
211-989-5
MDL number:
MFCD00008821
UNSPSC Code:
12352100
PubChem Substance ID:
24900239
NACRES:
NA.22

Assay

98%

bp

277 °C (lit.)

mp

125-130 °C (lit.)

SMILES string

CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

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

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Signal Word

Danger

Hazard Statements

H302,H317,H360D,H373,H410

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 1B - Skin Sens. 1B - STOT RE 2

Target Organs

Liver

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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A L Wilcox et al.
Chemical research in toxicology, 6(4), 413-416 (1993-07-01)
13-Hydroperoxyoctadeca-9,11,15-trienoic acid was reacted with a catalytic amount of 5,10,15,20-tetraphenyl-21H,23H-porphyrin iron(III) chloride in dichloromethane containing 2,4,6-tri-tert-butylphenol. The principal products were identified as 13-oxooctadeca-9,11,15-trienoic acid, 13-oxotrideca-9,11-dienoic acid, and a series of isomeric epoxyaryl ethers [9-(2,4,6-tri-tert-butylphenoxy)-12,13-epoxyoctadec-10-enoic acids and 11-(2,4,6-tri-tert-butylphenoxy)-12,13-epoxyoctadec-9-enoic acids]. The epoxyaryl
Yoshinori Kadoma et al.
Chemosphere, 74(5), 626-632 (2008-12-17)
To clarify the mechanism of phenol toxicity, the radical-scavenging activity of 2- or 2,6-di-tert-butyl- and 2-methoxy-substituted phenols was investigated by combining two distinct approaches: first, the induction period method for methacrylate polymerization initiated by benzoyl peroxide or 2,2'-azobisisobutyronitrile; and secondly
David E Lansky et al.
Inorganic chemistry, 45(13), 5119-5125 (2006-06-20)
High-valent metal-oxo complexes are postulated as key intermediates for a wide range of enzymatic and synthetic processes. To gain an understanding of these processes, the reactivity of an isolated, well-characterized Mn(V)-oxo complex, (TBP8Cz)MnVO (1), (TBP8Cz = octakis(para-tert-butylphenyl)corrolazinato(3-)) has been examined.
K Matsumoto et al.
The Journal of toxicological sciences, 16(4), 167-179 (1991-11-01)
In order to study the chronic toxicity of 2, 4, 6-tri-tert-butylphenol (TTBP), groups of 40 Slc: Wistar rats of either sex were fed diet containing 0, 30, 100, 300 or 1000 ppm of TTBP for up to 24 months. Hematological
Mian Guo et al.
Nature communications, 3, 1190-1190 (2012-11-15)
Different metalloporphyrin model compounds have been synthesized to study the mechanisms of cytochrome P450s with various terminal oxidants, and numerous intermediates have been reported. However, the detailed mechanism of the oxygen atom transfer from iodosylarene to the substrates remains unclear.
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