Diacetin
TL;DR: Diacetin (CAS 102-62-5) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-acetyloxy-3-hydroxypropyl) acetate
Also Known As: Diacetin, 1,2-Diacetin, Glycerol diacetate, Glyceryl diacetate, 2,3-Diacetin
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O5 |
| Molecular Weight | 176.06847 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.06847 Da |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| Solubility | Soluble in water. Miscible with ethanol |
| SMILES | CC(=O)OCC(CO)OC(=O)C |
| InChIKey | UXDDRFCJKNROTO-UHFFFAOYSA-N |
Chemical Property Profile of Diacetin
Property Insights of Diacetin
The XLogP value of -0.3 indicates that Diacetin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacetin. Following Lipinski's Rule of Five, Diacetin has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diacetin?
The CAS number of Diacetin is 102-62-5.
What is the molecular formula of Diacetin?
The molecular formula of Diacetin is C7H12O5.
What is the molecular weight of Diacetin?
The molecular weight of Diacetin is 176.06847 g/mol.
Where can I buy Diacetin?
You can request a quote for Diacetin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diacetin?
Yes, CoreyChem provides custom synthesis services for Diacetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.