三乙酸甘油酯
TL;DR: 三乙酸甘油酯 (CAS 102-76-1) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三乙酸甘油酯
2,3-diacetyloxypropyl acetate
Also Known As: triacetin, Glyceryl triacetate, Glycerol triacetate, Enzactin, Triacetine
| Molecular Formula | C9H14O6 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 218.07904 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
| Melting Point | -78 °C |
| Boiling Point | 258-259 °C |
| Density | 1.1583 g/cu cm at 20 °C |
| Solubility | In water, 52,130 mg/L at 24.5 °C |
| Flash Point | 137.8 °C (138 °C) (closed cup) |
| Vapor Pressure | 0.00248 [mmHg] |
| Refractive Index | [n]D/25 between 1,429 and 1,431 |
Chemical Identifiers
| CAS Number | 102-76-1 |
|---|---|
| SMILES | CC(=O)OCC(COC(=O)C)OC(=O)C |
| InChIKey | URAYPUMNDPQOKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三乙酸甘油酯 (CAS 102-76-1), with molecular formula C9H14O6 and molecular weight 218.08 g/mol. IUPAC: 2,3-diacetyloxypropyl acetate.
Chemical Property Profile of 三乙酸甘油酯
Property Insights of 三乙酸甘油酯
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三乙酸甘油酯. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 三乙酸甘油酯. Following Lipinski's Rule of Five, 三乙酸甘油酯 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
Frequently Asked Questions
What is the CAS number of 三乙酸甘油酯?
The CAS number of 三乙酸甘油酯 is 102-76-1.
What is the molecular formula of 三乙酸甘油酯?
The molecular formula of 三乙酸甘油酯 is C9H14O6.
What is the molecular weight of 三乙酸甘油酯?
The molecular weight of 三乙酸甘油酯 is 218.08 g/mol.
Where can I buy 三乙酸甘油酯?
You can request a quote for 三乙酸甘油酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三乙酸甘油酯?
Yes, KEHONG BIO provides custom synthesis services for 三乙酸甘油酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.