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
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-632-4
Beilstein/REAXYS Number:
1421537
MDL number:
Assay:
99%
Form:
liquid
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
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).
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hcodes
signalword
Warning
Hazard Classifications
Flam. Liq. 3 - Skin Irrit. 2
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
116.6 °F - closed cup
flash_point_c
47 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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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)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| B90602-5ML | 04061838111951 |
| B90602-250ML | 04061833443552 |
| B90602-1L | 04061838129802 |