5-Tert-butyl-m-xylene
TL;DR: 5-Tert-butyl-m-xylene (CAS 98-19-1) 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-tert-butyl-3,5-dimethylbenzene
Also Known As: 5-tert-Butyl-m-xylene, 1-tert-Butyl-3,5-dimethylbenzene, 1-(tert-butyl)-3,5-dimethylbenzene, m-Xylene, 5-tert-butyl-, 1,3-Dimethyl-5-tert-butylbenzene
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H18 |
| Molecular Weight | 162.14085 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.14085 Da |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
| SMILES | CC1=CC(=CC(=C1)C(C)(C)C)C |
| InChIKey | FZSPYHREEHYLCB-UHFFFAOYSA-N |
Product Description
Applications: 5-Tert-butyl-m-xylene is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. 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).
A organic building block supplied by CoreyChem, 5-Tert-butyl-m-xylene (CAS 98-19-1) has the molecular formula C12H18 and a molecular weight of 162.14 g/mol. Synonyms include 5-tert-Butyl-m-xylene and 1-tert-Butyl-3,5-dimethylbenzene.
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 5-Tert-butyl-m-xylene
Property Insights of 5-Tert-butyl-m-xylene
The XLogP value of 4.3 indicates that 5-Tert-butyl-m-xylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Tert-butyl-m-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Tert-butyl-m-xylene 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 5-Tert-butyl-m-xylene?
The CAS number of 5-Tert-butyl-m-xylene is 98-19-1.
What is the molecular formula of 5-Tert-butyl-m-xylene?
The molecular formula of 5-Tert-butyl-m-xylene is C12H18.
What is the molecular weight of 5-Tert-butyl-m-xylene?
The molecular weight of 5-Tert-butyl-m-xylene is 162.14085 g/mol.
What are the applications of 5-Tert-butyl-m-xylene?
5-Tert-butyl-m-xylene is used in complex organic molecule assembly across discovery and process chemistry, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 5-Tert-butyl-m-xylene?
You can request a quote for 5-Tert-butyl-m-xylene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Tert-butyl-m-xylene?
Yes, CoreyChem provides custom synthesis services for 5-Tert-butyl-m-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.