2-Methyl-2-butanol
TL;DR: 2-Methyl-2-butanol (CAS 75-85-4) 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-methylbutan-2-ol
Also Known As: 2-METHYL-2-BUTANOL, tert-Amyl alcohol, Amylene hydrate, 2-Methylbutan-2-ol, tert-Pentanol
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) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.08881 Da |
| Heavy Atoms | 6 |
| Complexity | 39.0 |
| Melting Point | -9.1 °C |
| Boiling Point | 102.4 °C at 760 mm Hg |
| Density | 0.8096 at 20 °C/4 °C |
| Flash Point | 67 °F (NFPA, 2010) |
| Vapor Pressure | 16.8 [mmHg] |
| Refractive Index | Index of refraction: 1.4052 at 20 °C/4 °C |
| Solubility | Solubility in water: 12.1%wt at 20 °C; 11.0%wt at 25 °C; 10.1%wt at 30 °C |
| SMILES | CCC(C)(C)O |
| InChIKey | MSXVEPNJUHWQHW-UHFFFAOYSA-N |
Product Description
Applications: 2-Methyl-2-butanol 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
2-Methyl-2-butanol is a heterocyclic building block identified by CAS number 75-85-4 and the molecular formula C5H12O and a molecular weight of 88.09 g/mol. Physically, the compound has a density of 0.8096 at 20 °C/4 °C g/cm³, a solubility: Solubility in water: 12.1%wt at 20 °C; 11.0%wt at 25 °C; 10.1%wt at 30 °C. Synonyms include 2-METHYL-2-BUTANOL and tert-Amyl alcohol.
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 2-Methyl-2-butanol
Property Insights of 2-Methyl-2-butanol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-butanol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Methyl-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-butanol has 1 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 2-Methyl-2-butanol?
The CAS number of 2-Methyl-2-butanol is 75-85-4.
What is the molecular formula of 2-Methyl-2-butanol?
The molecular formula of 2-Methyl-2-butanol is C5H12O.
What is the molecular weight of 2-Methyl-2-butanol?
The molecular weight of 2-Methyl-2-butanol is 88.08881 g/mol.
What are the applications of 2-Methyl-2-butanol?
2-Methyl-2-butanol 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. Available from CoreyChem as both catalog item and...
Where can I buy 2-Methyl-2-butanol?
You can request a quote for 2-Methyl-2-butanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-2-butanol?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.