Diacetin
TL;DR: Diacetin (CAS 102-62-5) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyloxy-3-hydroxypropyl) acetate
Also Known As: Diacetin, 1,2-Diacetin, Glycerol diacetate, Glyceryl diacetate, 2,3-Diacetin
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| Solubility | Soluble in water. Miscible with ethanol |
Chemical Identifiers
| CAS Number | 102-62-5 |
|---|---|
| SMILES | CC(=O)OCC(CO)OC(=O)C |
| InChIKey | UXDDRFCJKNROTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diacetin (CAS 102-62-5), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: (2-acetyloxy-3-hydroxypropyl) acetate.
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
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 176.07 g/mol.
Where can I buy Diacetin?
You can request a quote for Diacetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacetin?
Yes, KEHONG BIO provides custom synthesis services for Diacetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.