Butanedione
TL;DR: Butanedione (CAS 431-03-8) is a chemical compound with molecular formula C4H6O2 and molecular weight 86.03678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butane-2,3-dione
Also Known As: 2,3-butanedione, diacetyl, biacetyl, Butane-2,3-dione, dimethylglyoxal
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6O2 |
| Molecular Weight | 86.03678 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.03678 Da |
| Heavy Atoms | 6 |
| Complexity | 71.0 |
| Melting Point | 27.7 °F (NTP, 1992) |
| Boiling Point | 190 °F at 760 mmHg (NTP, 1992) |
| Density | 0.99 at 59 °F (NTP, 1992) - Less dense than water; will float |
| Flash Point | 80 °F (NTP, 1992) |
| Vapor Pressure | 56.8 [mmHg] |
| Refractive Index | Index of refraction: 1.3951 at 20 °C. |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CC(=O)C(=O)C |
| InChIKey | QSJXEFYPDANLFS-UHFFFAOYSA-N |
Product Description
Applications: Butanedione is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butanedione (CAS 431-03-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Butanedione (CAS 431-03-8) has the molecular formula C4H6O2 and a molecular weight of 86.04 g/mol. Reported properties include a density of 0.99 at 59 °F (NTP, 1992) - Less dense than water; will float g/cm³, a solubility: greater than or equal to 100 mg/mL at 72 °F (NTP, 1992). It is also known as 2,3-butanedione and diacetyl.
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 Butanedione
Property Insights of Butanedione
The XLogP value of -1.3 indicates that Butanedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.1 Ų, Butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedione has 0 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 Butanedione?
The CAS number of Butanedione is 431-03-8.
What is the molecular formula of Butanedione?
The molecular formula of Butanedione is C4H6O2.
What is the molecular weight of Butanedione?
The molecular weight of Butanedione is 86.03678 g/mol.
What are the applications of Butanedione?
Butanedione is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butanedione (CAS 431-03-8) with custom...
Where can I buy Butanedione?
You can request a quote for Butanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanedione?
Yes, CoreyChem provides custom synthesis services for Butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.