t-Butylbenzene

t-Butylbenzene Structure
t-Butylbenzene structure
Common Name t-Butylbenzene
CAS Number 98-06-6 Molecular Weight 134.218
Density 0.9±0.1 g/cm3 Boiling Point 167.8±7.0 °C at 760 mmHg
Molecular Formula C10H14 Melting Point -58 °C
MSDS Chinese USA Flash Point 34.4±0.0 °C
Symbol GHS02 GHS07
GHS02, GHS07
Signal Word Warning

QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

Eur. J. Med. Chem. 43 , 714-40, (2008)

Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors....

Evaluation of injection methods for fast, high peak capacity separations with low thermal mass gas chromatography.

J. Chromatogr. A. 1392 , 82-90, (2015)

Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct vapor. An Agilent LTM equipped with a short microbore capil...

Development of a living membrane comprising a functional human renal proximal tubule cell monolayer on polyethersulfone polymeric membrane.

Acta Biomater. 14 , 22-32, (2015)

The need for improved renal replacement therapies has stimulated innovative research for the development of a cell-based renal assist device. A key requirement for such a device is the formation of a "living membrane", consisting of a tight kidney cell monola...

Metabolites of three structural isomers of butylbenzene in the bile of rainbow trout.

Bull. Environ. Contam. Toxicol. 44(3) , 487-93, (1990)

Large Raman-scattering activities for the low-frequency modes of substituted benzenes: induced polarizability and stereo-specific ring-substituent interactions.

J. Chem. Phys. 124(10) , 104301, (2006)

The large nonresonant Raman-scattering activities of the out-of-plane bending and torsional modes of monosubstituted benzene analogs are studied by low-frequency Raman experiments and B3LYP6-31++G(d,p) calculations. Electronic interactions between the sigma o...

Covalent bulk functionalization of graphene.

Nature Chemistry 3(4) , 279-86, (2011)

Graphene, a truly two-dimensional and fully π-conjugated honeycomb carbon network, is currently evolving into the most promising successor to silicon in micro- and nanoelectronic applications. However, its wider application is impeded by the difficulties in o...

Effect of solvent on the lithium-bromine exchange of aryl bromides: reactions of n-butyllithium and tert-butyllithium with 1-bromo-4-tert-butylbenzene at 0 degrees C.

J. Org. Chem. 71(7) , 2825-8, (2006)

The outcome of reactions of 1-bromo-4-tert-butylbenzene (1), a representative aryl bromide, with n-BuLi or t-BuLi at 0 degrees C in a variety of solvent systems has been investigated. The products of reactions of 1 with n-BuLi vary significantly with changes ...

Biodegradation of alkyl derivatives of aromatic hydrocarbons and cell surface properties of a strain of Pseudomonas stutzeri.

Chemosphere 90(2) , 471-8, (2013)

Pseudomonas stutzeri strain 9 was isolated from petroleum-contaminated soil. The main purpose of this study was to investigate how the long-term contact of this strain with diesel oil influences its surface and biodegradation properties. The experiments showe...

A computational study of tert-butylbenzenium ions.

J. Phys. Chem. A 115(14) , 3106-15, (2011)

A computational study of tert-butylbenzenium ions has been performed. Structures and energies of the various isomers and the transition states for their interconversions have been determined. The existence of a stable π-electron complex (called A1) between a ...

Cellulose tris(3,5-dimethylphenylcarbamate)-coated zirconia as a chiral stationary phase for HPLC.

Anal. Chem. 71(15) , 3013-21, (1999)

In this work we explore the use of microparticulate porous zirconia coated with cellulose tris(3,5-dimethylphenyl-carbamate) (CDMPC) as a support for separation of chiral compounds by HPLC. The surface of zirconia, previously sintered but not rehydroxylated, ...