Propylene Glycol Diacetate
TL;DR: Propylene Glycol Diacetate (CAS 623-84-7) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxypropyl acetate
Also Known As: Propylene glycol diacetate, 1,2-Diacetoxypropane, 1,2-Propanediol diacetate, Propylene acetate, Propylene diacetate
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
| Melting Point | -31 °C |
| Boiling Point | 190 °C AT 762 MM HG |
| Density | 1.059 AT 20 °C |
| Solubility | VERY SOL IN WATER; SOL IN ETHYL ALCOHOL, ETHYL ETHER |
| Flash Point | 86 °C |
| Vapor Pressure | 0.57 [mmHg] |
| Refractive Index | 1.4173 AT 20 °C |
Chemical Identifiers
| CAS Number | 623-84-7 |
|---|---|
| SMILES | CC(COC(=O)C)OC(=O)C |
| InChIKey | MLHOXUWWKVQEJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propylene Glycol Diacetate (CAS 623-84-7), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 2-acetyloxypropyl acetate.
Chemical Property Profile of Propylene Glycol Diacetate
Property Insights of Propylene Glycol Diacetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylene Glycol Diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, Propylene Glycol Diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylene Glycol Diacetate has 0 hydrogen bond donor(s) and 4 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 Propylene Glycol Diacetate?
The CAS number of Propylene Glycol Diacetate is 623-84-7.
What is the molecular formula of Propylene Glycol Diacetate?
The molecular formula of Propylene Glycol Diacetate is C7H12O4.
What is the molecular weight of Propylene Glycol Diacetate?
The molecular weight of Propylene Glycol Diacetate is 160.07 g/mol.
Where can I buy Propylene Glycol Diacetate?
You can request a quote for Propylene Glycol Diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylene Glycol Diacetate?
Yes, KEHONG BIO provides custom synthesis services for Propylene Glycol Diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.