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113352

Sigma-Aldrich

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
Beilstein:
1617000
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Quality Level

Assay

98%

form

solid

bp

236 °C (lit.)

mp

76-78 °C (lit.)

SMILES string

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

InChI

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

InChI key

OOWNNCMFKFBNOF-UHFFFAOYSA-N

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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

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1

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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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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