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Merck

T49409

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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24900239
EC Number:
211-989-5
Beilstein/REAXYS Number:
1913256
MDL number:
MFCD00008821
Assay:
98%

Key Documents

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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 string

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

assay

98%

bp

277 °C (lit.)

Quality Level

100

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Related Categories

signalword

Danger

target_organs

Liver

Storage Class

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

ppe

dust mask type N95 (US), Eyeshields, Gloves

Hazard Classifications

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

732-26-3

CAS No.

732-26-3

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
STBK7177
STBK5463
STBK2520
STBJ9419
STBJ7684

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O Takahashi et al.
Xenobiotica; the fate of foreign compounds in biological systems, 13(5), 319-326 (1983-05-01)
Single oral doses of the haemorrhagic antioxidant 2,4,6-tri-t-butylphenol (260 mg/kg) were well absorbed in the rat. Peak blood levels of this compound were reached in 15-60 min. The blood elimination half-lives were 18.2 min for the alpha-phase and 11.8 h
S Nemoto et al.
Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan, 42(6), 359-366 (2002-03-06)
An analytical method has been developed for the determination of 2,4,6-tri-tert-butylphenol (TTBP) in foods. TTBP was determined by GC/MS (SIM) after extraction from food samples using a steam distillation technique. The developed method was able to determine simultaneously 2,4-di-tert-butylphenol (2,4-DTBP)
Christian R Goldsmith et al.
Journal of the American Chemical Society, 124(1), 83-96 (2002-01-05)
Lipoxygenases are mononuclear non-heme iron enzymes that regio- and stereospecifcally convert 1,4-pentadiene subunit-containing fatty acids into alkyl peroxides. The rate-determining step is generally accepted to be hydrogen atom abstraction from the pentadiene subunit of the substrate by an active ferric
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
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
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