1,4-Di-tert-butylbenzene
TL;DR: 1,4-Di-tert-butylbenzene (CAS 1012-72-2) is a chemical compound with molecular formula C14H22 and molecular weight 190.17215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-ditert-butylbenzene
Also Known As: 1,4-Di-tert-butylbenzene, p-Di-tert-butylbenzene, 1,4-ditert-butylbenzene, Benzene, p-di-tert-butyl-, Benzene, 1,4-bis(1,1-dimethylethyl)-
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22 |
| Molecular Weight | 190.17215 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.17215 Da |
| Heavy Atoms | 14 |
| Complexity | 147.0 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(C)(C)C |
| InChIKey | OOWNNCMFKFBNOF-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Di-tert-butylbenzene
Property Insights of 1,4-Di-tert-butylbenzene
The XLogP value of 5.3 indicates that 1,4-Di-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, 1,4-Di-tert-butylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Di-tert-butylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,4-Di-tert-butylbenzene?
The CAS number of 1,4-Di-tert-butylbenzene is 1012-72-2.
What is the molecular formula of 1,4-Di-tert-butylbenzene?
The molecular formula of 1,4-Di-tert-butylbenzene is C14H22.
What is the molecular weight of 1,4-Di-tert-butylbenzene?
The molecular weight of 1,4-Di-tert-butylbenzene is 190.17215 g/mol.
Where can I buy 1,4-Di-tert-butylbenzene?
You can request a quote for 1,4-Di-tert-butylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Di-tert-butylbenzene?
Yes, CoreyChem provides custom synthesis services for 1,4-Di-tert-butylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.