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Key Documents

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B90602

Sigma-Aldrich

tert-Butylbenzene

99%

Synonyme(s) :

2-Methyl-2-phenylpropane

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About This Item

Formule linéaire :
C6H5C(CH3)3
Numéro CAS:
98-06-6
Poids moléculaire :
134.22
Numéro Beilstein :
1421537
Numéro CE :
202-632-4
Numéro MDL:
MFCD00008816
Code UNSPSC :
12352100
ID de substance PubChem :
24892119
Nomenclature NACRES :
NA.22

Densité de vapeur

3.16 (169 °C, vs air)

Niveau de qualité

200

Pression de vapeur

4.79 mmHg ( 37.7 °C)

Pureté

99%

Forme

liquid

Température d'inflammation spontanée

842 °F

Indice de réfraction

n20/D 1.492 (lit.)

Point d'ébullition

169 °C (lit.)

Pf

−58 °C (lit.)

Densité

0.867 g/mL at 25 °C (lit.)

Chaîne SMILES 

CC(C)(C)c1ccccc1

InChI

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

Clé InChI

YTZKOQUCBOVLHL-UHFFFAOYSA-N

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Description générale

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).

Pictogrammes

FlameExclamation mark
GHS02,GHS07

Mention d'avertissement

Warning

Mentions de danger

H226,H315

Classification des risques

Flam. Liq. 3 - Skin Irrit. 2

Code de la classe de stockage

3 - Flammable liquids

Classe de danger pour l'eau (WGK)

WGK 1

Point d'éclair (°F)

116.6 °F - closed cup

Point d'éclair (°C)

47 °C - closed cup

Équipement de protection individuelle

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificats d'analyse (COA)

Lot/Batch Number
STBJ8220
STBJ1937
STBG6539
STBB2113V
STBD6954V

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Consulter la Bibliothèque de documents

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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Protocoles

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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