叔丁苯
TL;DR: 叔丁苯 (CAS 98-06-6) is a chemical compound with molecular formula C10H14 and molecular weight 134.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔丁苯
tert-butylbenzene
Also Known As: tert-Butylbenzene, T-BUTYLBENZENE, Pseudobutylbenzene, Phenyltrimethylmethane, Trimethylphenylmethane
| Molecular Formula | C10H14 |
|---|---|
| Molecular Weight | 134.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.10954 |
| Heavy Atoms | 10 |
| Complexity | 91.0 |
| Melting Point | -57.8 °C |
| Boiling Point | 169.1 °C |
| Density | 0.8669 @ 20 °C |
| Solubility | Miscible with alc, ether, benzene |
| Flash Point | 60.0 °C (60 °C) OPEN CUP |
| Vapor Pressure | 2.2 [mmHg] |
| Refractive Index | 1.49235 @ 20 °C |
Chemical Identifiers
| CAS Number | 98-06-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC=C1 |
| InChIKey | YTZKOQUCBOVLHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔丁苯 (CAS 98-06-6), with molecular formula C10H14 and molecular weight 134.11 g/mol. IUPAC: tert-butylbenzene.
Chemical Property Profile of 叔丁苯
Property Insights of 叔丁苯
The XLogP value of 4.1 indicates that 叔丁苯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 叔丁苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔丁苯 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
Frequently Asked Questions
What is the CAS number of 叔丁苯?
The CAS number of 叔丁苯 is 98-06-6.
What is the molecular formula of 叔丁苯?
The molecular formula of 叔丁苯 is C10H14.
What is the molecular weight of 叔丁苯?
The molecular weight of 叔丁苯 is 134.11 g/mol.
Where can I buy 叔丁苯?
You can request a quote for 叔丁苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁苯?
Yes, KEHONG BIO provides custom synthesis services for 叔丁苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.