2-Methyl-3-butyn-2-ol
TL;DR: 2-Methyl-3-butyn-2-ol (CAS 115-19-5) is a chemical compound with molecular formula C5H8O and molecular weight 84.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbut-3-yn-2-ol
Also Known As: 2-METHYL-3-BUTYN-2-OL, 2-Methylbut-3-yn-2-ol, Carbavane, 3-Methylbutynol, 2-Methyl-2-butynol
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O |
| Molecular Weight | 84.05752 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 84.05752 Da |
| Heavy Atoms | 6 |
| Complexity | 83.0 |
| Melting Point | 36.7 °F (USCG, 1999) |
| Boiling Point | 219.2 to 221 °F at 760 mmHg (USCG, 1999) |
| Density | 0.8672 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 77 °F (USCG, 1999) |
| Vapor Pressure | 16.0 [mmHg] |
| Solubility | Solubility in water: miscible |
| SMILES | CC(C)(C#C)O |
| InChIKey | CEBKHWWANWSNTI-UHFFFAOYSA-N |
Product Description
Applications: 2-Methyl-3-butyn-2-ol is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methyl-3-butyn-2-ol (CAS 115-19-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Methyl-3-butyn-2-ol (CAS 115-19-5) is a polymer intermediate with the molecular formula C5H8O and a molecular weight of 84.06 g/mol. Key physical properties include a density of 0.8672 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: Solubility in water: miscible. It is also known as 2-METHYL-3-BUTYN-2-OL and 2-Methylbut-3-yn-2-ol.
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-3-butyn-2-ol
Property Insights of 2-Methyl-3-butyn-2-ol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-butyn-2-ol. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Methyl-3-butyn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-butyn-2-ol 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-3-butyn-2-ol?
The CAS number of 2-Methyl-3-butyn-2-ol is 115-19-5.
What is the molecular formula of 2-Methyl-3-butyn-2-ol?
The molecular formula of 2-Methyl-3-butyn-2-ol is C5H8O.
What is the molecular weight of 2-Methyl-3-butyn-2-ol?
The molecular weight of 2-Methyl-3-butyn-2-ol is 84.05752 g/mol.
What are the applications of 2-Methyl-3-butyn-2-ol?
2-Methyl-3-butyn-2-ol is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Methyl-3-butyn-2-ol (CAS...
Where can I buy 2-Methyl-3-butyn-2-ol?
You can request a quote for 2-Methyl-3-butyn-2-ol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-3-butyn-2-ol?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-3-butyn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.