B90602
tert-Butylbenzene
99%
Synonym(s):
2-Methyl-2-phenylpropane
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About This Item
Linear Formula:
C6H5C(CH3)3
CAS Number:
Molecular Weight:
134.22
Beilstein:
1421537
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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vapor density
3.16 (169 °C, vs air)
Quality Level
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).
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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De-tert-butylation of substituted arenes
Saleh et al.
Tetrahedron, 54, 14157-14177 (1998)
Liquid density measurements of cumene, tert-butylbenzene, and hexadecane over wide ranges of temperature and pressure
Khasanshin et al.
Fluid Phase Equilibria, 463, 121-127 (2018)
The Orientation of Isopropyl and tert-Butyl Groups in Benzene Dialkylation
Hennion et al.
The Journal of Organic Chemistry, 17, 1102-1106 (1952)
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
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