tert-Butylbenzene
ALDRICH/B90602 - 99%
Synonym: 2-
CAS Number: 98-06-6
Empirical Formula (Hill Notation): C10H14
Molecular Weight: 134.22
EC Number: 202-632-4
MDL Number: MFCD00008816
Linear Formula: C6H5C(CH3)3
Product Type: Chemical
assay | 99% |
autoignition temp. | 842 °F |
bp | 169 °C (lit.) |
density | 0.867 g/mL at 25 °C (lit.) |
form | liquid |
InChI | 1S/C10H14/c1-10(2,3)9-7-5 |
InChI key | YTZKOQUCBOVLHL-UHFFFAOYSA |
mp | −58 °C (lit.) |
Quality Level | 200 ![]() |
refractive index | n |
SMILES string | CC(C)(C)c1ccccc1 |
vapor density | 3.16 (169 °C, vs air) |
vapor pressure | 4.79 mmHg ( 37.7 °C) |
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 ![]() ![]() |
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. |
Packaging: | 1 L in glass bottle |
Packaging: | 5, 250 mL in glass bottle |
Symbol | ![]() ![]() ![]() |
Signal word | Danger |
Hazard statements | H226 - H304 - H315 - H332 |
Precautionary statements | P210 - P233 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P312 - P331 |
Hazard Codes | Xi,N |
Risk Statements | 10-36-51/53 |
Safety Statements | 26-61 |
RIDADR | UN 2709 3 / PGIII |
WGK Germany | WGK 1 |
Flash Point(F) | 111.2 °F |
Flash Point(C) | 44 °C |
Purity | 99% |
bp | 169 °C (lit.) |
mp | −58 °C (lit.) |
Density | 0.867 g/mL at 25 °C (lit.) |
Refractive Index | n |
UNSPSC | 12352100 |