Tert-Butylbenzene
TL;DR: Tert-Butylbenzene (CAS 98-06-6) is a chemical compound with molecular formula C10H14 and molecular weight 134.10954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butylbenzene
Also Known As: tert-Butylbenzene, T-BUTYLBENZENE, Pseudobutylbenzene, Phenyltrimethylmethane, Trimethylphenylmethane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14 |
| Molecular Weight | 134.10954 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.10954 Da |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
| Melting Point | -57.8 °C |
| Boiling Point | 169.1 °C |
| Density | 0.8669 @ 20 °C/4 °C |
| Flash Point | 140 °F (60 °C) OPEN CUP |
| Vapor Pressure | 2.2 [mmHg] |
| Refractive Index | Index of refraction: 1.49235 @ 20 °C/D |
| Solubility | Miscible with alc, ether, benzene |
| SMILES | CC(C)(C)C1=CC=CC=C1 |
| InChIKey | YTZKOQUCBOVLHL-UHFFFAOYSA-N |
Product Description
Applications: Tert-Butylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Tert-Butylbenzene (CAS 98-06-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, Tert-Butylbenzene (CAS 98-06-6) has the molecular formula C10H14 and a molecular weight of 134.11 g/mol. Reported properties include a density of 0.8669 @ 20 °C/4 °C g/cm³, a solubility: Miscible with alc, ether, benzene. It is also known as tert-Butylbenzene and T-BUTYLBENZENE.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Tert-Butylbenzene
Property Insights of Tert-Butylbenzene
The XLogP value of 4.1 indicates that Tert-Butylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Tert-Butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-Butylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tert-Butylbenzene?
The CAS number of Tert-Butylbenzene is 98-06-6.
What is the molecular formula of Tert-Butylbenzene?
The molecular formula of Tert-Butylbenzene is C10H14.
What is the molecular weight of Tert-Butylbenzene?
The molecular weight of Tert-Butylbenzene is 134.10954 g/mol.
What are the applications of Tert-Butylbenzene?
Tert-Butylbenzene is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Tert-Butylbenzene (CAS 98-06-6) with...
Where can I buy Tert-Butylbenzene?
You can request a quote for Tert-Butylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-Butylbenzene?
Yes, CoreyChem provides custom synthesis services for Tert-Butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.