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B90602

Sigma-Aldrich

tert-Butylbenzene

99%

Synonym(s):

2-Methyl-2-phenylpropane

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About This Item

Linear Formula:
C6H5C(CH3)3
CAS Number:
98-06-6
Molecular Weight:
134.22
Beilstein:
1421537
EC Number:
202-632-4
MDL number:
MFCD00008816
UNSPSC Code:
12352100
PubChem Substance ID:
24892119
NACRES:
NA.22

vapor density

3.16 (169 °C, vs air)

vapor pressure

4.79 mmHg ( 37.7 °C)

Assay

99%

form

liquid

autoignition temp.

842 °F

refractive index

n20/D 1.492 (lit.)

bp

169 °C (lit.)

mp

−58 °C (lit.)

density

0.867 g/mL at 25 °C (lit.)

SMILES string

CC(C)(C)c1ccccc1

InChI

1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3

InChI key

YTZKOQUCBOVLHL-UHFFFAOYSA-N

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General description

Tert-Butylbenzene, also known as 2-methyl-2-phenylpropane, is an aromatic hydrocarbon that serves as an organic building block in the synthesis of various tert-butyl derivatives. Due to its non-polar nature, it is an effective solvent in industrial processes, particularly in the formulation of coatings and adhesives.

Application

  • Gas separation applications: tert-Butylbenzene is utilized in the synthesis of aromatic polyimide membranes with covalent crosslinking, enhancing their performance in gas separation processes, which is vital for industrial applications and environmental management (Lozano et al., 2022).
  • Enhancement of Raman scattering: The compound serves as a substrate for metal nanoparticles in nanogap-enhanced Raman scattering studies, which is crucial for analytical chemistry, providing sensitive detection methods for various chemicals (Chen et al., 2021).
  • Hyperpolarized (13)C probes: It is also pivotal in the rational design of hyperpolarized (13)C probes, enabling significant advancements in magnetic resonance imaging (MRI) techniques, which improve diagnostic imaging capabilities (Sando et al., 2018).

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315

Hazard Classifications

Flam. Liq. 3 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

116.6 °F - closed cup

Flash Point(C)

47 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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C B Castells et al.
Analytical chemistry, 71(15), 3013-3021 (1999-08-18)
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, provides a stable surface for
Stein Kolboe
The journal of physical chemistry. A, 115(14), 3106-3115 (2011-03-25)
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 tert-butyl cation and
A C Rinaldi et al.
European journal of biochemistry, 251(1-2), 91-97 (1998-03-10)
Copper amine oxidases utilize 2,4,5-trihydroxyphenylalanine quinone (topaquinone) as a cofactor in enzymatic catalysis. This cofactor is formed from a tyrosine residue through a self-catalytic mechanism with the participation of the copper ion at the active site. Although pathways have been
G P Sgaragli et al.
European journal of pharmacology, 248(2), 121-129 (1993-08-02)
The 100-fold increase in toxicity of intraperitoneal (i.p.) rather than orally administered 2-t-butyl-4-methoxyphenol (BHA) is adduced to the depressive effect which this compound exerts on the contractility of the gut musculature. A structure/activity relation study shows the t-butyl group on
Clément Bonnot et al.
Journal of the American Chemical Society, 126(37), 11412-11413 (2004-09-16)
Compound 1, a cryptand-derived macropentacycle, is a flexible molecule that encompasses many conformations (symmetrical, unsymmetrical, and chiral ones) depending on the observation temperature (VT 1H NMR). Selective monoprotonation of this molecule leads to a totally unsymmetrical, rigidly chiral species in
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Protocols

US EPA Method 8260: GC Analysis of Volatiles on SPB®-624 after Purge & Trap using "K" Trap, Fast GC Analysis

US EPA Method 8260: GC Analysis of Volatiles on SPB®-624 after Purge & Trap using "K" Trap, Fast GC Analysis

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