Triacetin
TL;DR: Triacetin (CAS 102-76-1) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.07904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-diacetyloxypropyl acetate
Also Known As: triacetin, Glyceryl triacetate, Glycerol triacetate, Enzactin, Triacetine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14O6 |
| Molecular Weight | 218.07904 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.07904 Da |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| Melting Point | -78 °C |
| Boiling Point | 258-259 °C |
| Density | 1.1583 g/cu cm at 20 °C |
| Flash Point | 280 °F (138 °C) (closed cup) |
| Vapor Pressure | 0.00248 [mmHg] |
| Refractive Index | [n]D/25 between 1,429 and 1,431 |
| Solubility | In water, 52,130 mg/L at 24.5 °C |
| SMILES | CC(=O)OCC(COC(=O)C)OC(=O)C |
| InChIKey | URAYPUMNDPQOKB-UHFFFAOYSA-N |
Chemical Property Profile of Triacetin
Property Insights of Triacetin
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triacetin. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Triacetin. Following Lipinski's Rule of Five, Triacetin has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Triacetin?
The CAS number of Triacetin is 102-76-1.
What is the molecular formula of Triacetin?
The molecular formula of Triacetin is C9H14O6.
What is the molecular weight of Triacetin?
The molecular weight of Triacetin is 218.07904 g/mol.
Where can I buy Triacetin?
You can request a quote for Triacetin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Triacetin?
Yes, CoreyChem provides custom synthesis services for Triacetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.