Acetoin
TL;DR: Acetoin (CAS 513-86-0) is a chemical compound with molecular formula C4H8O2 and molecular weight 88.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxybutan-2-one
Also Known As: acetoin, 3-hydroxy-2-butanone, 3-hydroxybutan-2-one, Dimethylketol, acetylmethylcarbinol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8O2 |
| Molecular Weight | 88.05243 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 88.05243 Da |
| Heavy Atoms | 6 |
| Complexity | 58.0 |
| Melting Point | 15 °C |
| Boiling Point | 148 °C at 760 mm Hg |
| Density | 0.9972 g/cu cm at 17 °C |
| Flash Point | 41 °C |
| Vapor Pressure | 2.69 [mmHg] |
| Refractive Index | 1.417-1.420 |
| Solubility | Sparingly soluble in ether, petroleum ether |
| SMILES | CC(C(=O)C)O |
| InChIKey | ROWKJAVDOGWPAT-UHFFFAOYSA-N |
Product Description
Applications: Acetoin is used in biotechnology workflows and life-science research, 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).
A biotechnology compound supplied by CoreyChem, Acetoin (CAS 513-86-0) has the molecular formula C4H8O2 and a molecular weight of 88.05 g/mol. Reported properties include a density of 0.9972 g/cu cm at 17 °C g/cm³, a solubility: Sparingly soluble in ether, petroleum ether. Synonyms include acetoin and 3-hydroxy-2-butanone.
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 Acetoin
Property Insights of Acetoin
The XLogP value of -0.3 indicates that Acetoin 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, Acetoin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetoin 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 Acetoin?
The CAS number of Acetoin is 513-86-0.
What is the molecular formula of Acetoin?
The molecular formula of Acetoin is C4H8O2.
What is the molecular weight of Acetoin?
The molecular weight of Acetoin is 88.05243 g/mol.
What are the applications of Acetoin?
Acetoin is used in biotechnology workflows and life-science research, 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...
Where can I buy Acetoin?
You can request a quote for Acetoin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetoin?
Yes, CoreyChem provides custom synthesis services for Acetoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.