B90602

tert-Butylbenzene

99%

• Synonym(s): 2-Methyl-2-phenylpropane
• 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

Properties

• vapor density: 3.16 (169 °C, vs air)
• Quality Level: 200
• 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

Description

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).

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H315
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P303 + P361 + P353
• 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