3-Hydroxy-3-methyl-2-butanone
TL;DR: 3-Hydroxy-3-methyl-2-butanone (CAS 115-22-0) is a chemical compound with molecular formula C5H10O2 and molecular weight 102.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-3-methylbutan-2-one
Also Known As: 3-HYDROXY-3-METHYL-2-BUTANONE, 3-hydroxy-3-methylbutan-2-one, Methylacetoin, 3-Methylacetoin, Dimethylacetylcarbinol
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.06808 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 102.06808 Da |
| Heavy Atoms | 7 |
| Complexity | 84.0 |
| SMILES | CC(=O)C(C)(C)O |
| InChIKey | BNDRWEVUODOUDW-UHFFFAOYSA-N |
Product Description
Applications: 3-Hydroxy-3-methyl-2-butanone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as dye and pigment synthesis and coloration chemistry. 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).
3-Hydroxy-3-methyl-2-butanone is a heterocyclic building block identified by CAS number 115-22-0 and the molecular formula C5H10O2 and a molecular weight of 102.07 g/mol. Synonyms include 3-HYDROXY-3-METHYL-2-BUTANONE and 3-hydroxy-3-methylbutan-2-one.
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 3-Hydroxy-3-methyl-2-butanone
Property Insights of 3-Hydroxy-3-methyl-2-butanone
The XLogP value of -0.1 indicates that 3-Hydroxy-3-methyl-2-butanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Hydroxy-3-methyl-2-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-methyl-2-butanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-3-methyl-2-butanone?
The CAS number of 3-Hydroxy-3-methyl-2-butanone is 115-22-0.
What is the molecular formula of 3-Hydroxy-3-methyl-2-butanone?
The molecular formula of 3-Hydroxy-3-methyl-2-butanone is C5H10O2.
What is the molecular weight of 3-Hydroxy-3-methyl-2-butanone?
The molecular weight of 3-Hydroxy-3-methyl-2-butanone is 102.06808 g/mol.
What are the applications of 3-Hydroxy-3-methyl-2-butanone?
3-Hydroxy-3-methyl-2-butanone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as dye and pigment synthesis and coloration chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 3-Hydroxy-3-methyl-2-butanone?
You can request a quote for 3-Hydroxy-3-methyl-2-butanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Hydroxy-3-methyl-2-butanone?
Yes, CoreyChem provides custom synthesis services for 3-Hydroxy-3-methyl-2-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.