Hexamethylbenzene
TL;DR: Hexamethylbenzene (CAS 87-85-4) is a chemical compound with molecular formula C12H18 and molecular weight 162.14085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4,5,6-hexamethylbenzene
Also Known As: HEXAMETHYLBENZENE, Mellitene, Benzene, hexamethyl-, Hexamethylbenzol, Hexamethyl benzene
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18 |
| Molecular Weight | 162.14085 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.14085 Da |
| Heavy Atoms | 12 |
| Complexity | 91.0 |
| Vapor Pressure | 0.00086 [mmHg] |
| SMILES | CC1=C(C(=C(C(=C1C)C)C)C)C |
| InChIKey | YUWFEBAXEOLKSG-UHFFFAOYSA-N |
Product Description
Applications: Hexamethylbenzene 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Hexamethylbenzene is a organic building block identified by CAS number 87-85-4 and the molecular formula C12H18 and a molecular weight of 162.14 g/mol. Synonyms include HEXAMETHYLBENZENE and Mellitene.
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 Hexamethylbenzene
Property Insights of Hexamethylbenzene
The XLogP value of 4.6 indicates that Hexamethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexamethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexamethylbenzene 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 Hexamethylbenzene?
The CAS number of Hexamethylbenzene is 87-85-4.
What is the molecular formula of Hexamethylbenzene?
The molecular formula of Hexamethylbenzene is C12H18.
What is the molecular weight of Hexamethylbenzene?
The molecular weight of Hexamethylbenzene is 162.14085 g/mol.
What are the applications of Hexamethylbenzene?
Hexamethylbenzene 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. Available from CoreyChem as both catalog item and...
Where can I buy Hexamethylbenzene?
You can request a quote for Hexamethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexamethylbenzene?
Yes, CoreyChem provides custom synthesis services for Hexamethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.