All Photos(1)

B90602

Sigma-Aldrich

tert-Butylbenzene

99%

Synonym(s):
2-Methyl-2-phenylpropane
Linear Formula:
C6H5C(CH3)3
CAS Number:
Molecular Weight:
134.22
Beilstein:
1421537
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

vapor density

3.16 (169 °C, vs air)

vapor pressure

4.79 mmHg ( 37.7 °C)

assay

99%

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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Related Categories

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Inhalation - Asp. Tox. 1 - Flam. Liq. 3 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 1

Flash Point(F)

111.2 °F

Flash Point(C)

44 °C

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Salvatore Fanali et al.
Journal of separation science, 29(10), 1423-1431 (2006-08-10)
Several racemic acidic compounds of pharmaceutical and environmental interest have been separated into their enantiomers by nano-liquid chromatography (nano-LC) employing a tert-butylbenzoylated tartardiamide chiral stationary phase (CHI-TBB). CHI-TBB was packed into a fused silica capillary of 100 microm id and...
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...
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...
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...
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...

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 describes the analysis of volatile organic compounds in solid wastes and ground waters. This application illustrates the analysis of many compounds commonly analyzed by this method using purge and trap coupled to GC-MS.

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