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Merck
CN

113352

1,4-Di-tert-butylbenzene

98%

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About This Item

Linear Formula:
C6H4[C(CH3)3]2
CAS Number:
Molecular Weight:
190.32
EC Number:
213-790-9
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
1617000
MDL number:
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Product Name

1,4-Di-tert-butylbenzene, 98%

InChI key

OOWNNCMFKFBNOF-UHFFFAOYSA-N

InChI

1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3

SMILES string

CC(C)(C)c1ccc(cc1)C(C)(C)C

assay

98%

form

solid

bp

236 °C (lit.)

mp

76-78 °C (lit.)

Quality Level

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Application

1,4-di-tert-butylbenzene (DTBB) is crystallized from several organic solvents to study the effect of solvents and crystallization conditions on its habit.

pictograms

Environment

signalword

Warning

hcodes

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves


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The effect of solvents on crystal habit of 1,4-DI-tert-butylbenzene (DTBB).
Garti N, et al.
Journal of Crystal Growth, 54(2), 227-231 (1981)
N R Clement et al.
Biochemistry, 20(6), 1539-1543 (1981-03-17)
The effects of small hydrophobic molecules on valinomycin-mediated K+ transport in small unilamellar soybean phospholipid vesicles have been studied by using a vesicle-entrapped pH-sensitive hydrophilic fluorescence probe to monitor counterion-limited, passive H+ diffusion into vesicles after an abrupt decrease in
Christopher Elam et al.
European journal of medicinal chemistry, 46(5), 1512-1523 (2011-03-01)
Two screening protocols based on recursive partitioning and computational ligand docking methodologies, respectively, were employed for virtual screens of a compound library with 345,000 entries for novel inhibitors of the enzyme sarco/endoplasmic reticulum calcium ATPase (SERCA), a potential target for

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