tert-Butyl methyl ether
TL;DR: tert-Butyl methyl ether (CAS 1634-04-4) is a chemical compound with molecular formula C5H12O and molecular weight 88.08881 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxy-2-methylpropane
Also Known As: tert-Butyl methyl ether, Methyl tert-butyl ether, MTBE, Methyl t-butyl ether, 2-Methoxy-2-methylpropane
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12O |
| Molecular Weight | 88.08881 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.08881 Da |
| Heavy Atoms | 6 |
| Complexity | 33.0 |
| Purity | ≥99.8% |
| Melting Point | -164.2 °F (USCG, 1999) |
| Boiling Point | 131.4 °F at 760 mmHg (USCG, 1999) |
| Density | 0.7405 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | -14 °F (USCG, 1999) |
| Vapor Pressure | 250.0 [mmHg] |
| Refractive Index | Index of refraction = 1.3664 at 25 °C/D |
| Solubility | Solubility of water in methyl t-butyl ether: 1.5 g/100 g; unstable in acid solution |
| SMILES | CC(C)(C)OC |
| InChIKey | BZLVMXJERCGZMT-UHFFFAOYSA-N |
Product Description
Applications: tert-Butyl methyl ether is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at ≥99.8%. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
tert-Butyl methyl ether is a heterocyclic building block identified by CAS number 1634-04-4 and the molecular formula C5H12O and a molecular weight of 88.09 g/mol. Physically, the compound has a density of 0.7405 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Solubility of water in methyl t-butyl ether: 1.5 g/100 g; unstable in acid solution. Synonyms include tert-Butyl methyl ether and Methyl tert-butyl ether.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Safety Information
H225, H315
Chemical Property Profile of tert-Butyl methyl ether
Property Insights of tert-Butyl methyl ether
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl methyl ether. With a topological polar surface area (TPSA) of 9.2 Ų, tert-Butyl methyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl methyl ether has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-Butyl methyl ether?
The CAS number of tert-Butyl methyl ether is 1634-04-4.
What is the molecular formula of tert-Butyl methyl ether?
The molecular formula of tert-Butyl methyl ether is C5H12O.
What is the molecular weight of tert-Butyl methyl ether?
The molecular weight of tert-Butyl methyl ether is 88.08881 g/mol.
What are the applications of tert-Butyl methyl ether?
tert-Butyl methyl ether is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Product profile: commercial lots are supplied at...
Where can I buy tert-Butyl methyl ether?
You can request a quote for tert-Butyl methyl ether directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyl methyl ether?
Yes, CoreyChem provides custom synthesis services for tert-Butyl methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.