Ethyl p-methylbenzenesulfonate
TL;DR: Ethyl p-methylbenzenesulfonate (CAS 80-40-0) is a chemical compound with molecular formula C9H12O3S and molecular weight 200.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-methylbenzenesulfonate
Also Known As: Ethyl p-toluenesulfonate, Ethyl 4-methylbenzenesulfonate, Ethyl tosylate, Ethyl p-tosylate, Ethyl p-TS
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12O3S |
| Molecular Weight | 200.05072 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.05072 Da |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
| Melting Point | 33 °C |
| Boiling Point | 173 °C @ 15 MM HG |
| Density | 1.17 |
| Flash Point | 316 °F |
| Vapor Pressure | 0.000241 [mmHg] |
| Solubility | INSOL IN WATER; SOL IN ALC, ETHER, HOT ACETIC ACID |
| SMILES | CCOS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | VRZVPALEJCLXPR-UHFFFAOYSA-N |
Product Description
Applications: Ethyl p-methylbenzenesulfonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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).
A heterocyclic building block supplied by CoreyChem, Ethyl p-methylbenzenesulfonate (CAS 80-40-0) has the molecular formula C9H12O3S and a molecular weight of 200.05 g/mol. Reported properties include a density of 1.17 g/cm³, a solubility: INSOL IN WATER; SOL IN ALC, ETHER, HOT ACETIC ACID. Synonyms include Ethyl p-toluenesulfonate and Ethyl 4-methylbenzenesulfonate.
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 Ethyl p-methylbenzenesulfonate
Property Insights of Ethyl p-methylbenzenesulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl p-methylbenzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Ethyl p-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl p-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl p-methylbenzenesulfonate?
The CAS number of Ethyl p-methylbenzenesulfonate is 80-40-0.
What is the molecular formula of Ethyl p-methylbenzenesulfonate?
The molecular formula of Ethyl p-methylbenzenesulfonate is C9H12O3S.
What is the molecular weight of Ethyl p-methylbenzenesulfonate?
The molecular weight of Ethyl p-methylbenzenesulfonate is 200.05072 g/mol.
What are the applications of Ethyl p-methylbenzenesulfonate?
Ethyl p-methylbenzenesulfonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, 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...
Where can I buy Ethyl p-methylbenzenesulfonate?
You can request a quote for Ethyl p-methylbenzenesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl p-methylbenzenesulfonate?
Yes, CoreyChem provides custom synthesis services for Ethyl p-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.