Ethyl vanillin propylene glycol acetal
TL;DR: Ethyl vanillin propylene glycol acetal (CAS 68527-76-4) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
Also Known As: Ethyl vanillin propylene glycol acetal, 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol, Ethylvanillin propylene glycol acetal, Ethyl vanillin propyleneglycol acetal, FEMA NO. 3838
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 221.0 |
| Boiling Point | 160.00 °C. @ 1.00 mm Hg |
| Density | 1.161-1.175 |
| Solubility | insoluble in water; soluble in organic solvents, oils |
| Refractive Index | 1.528-1.535 |
Chemical Identifiers
| CAS Number | 68527-76-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2OCC(O2)C)O |
| InChIKey | IFUIILQWHYHIEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl vanillin propylene glycol acetal (CAS 68527-76-4), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol.
Chemical Property Profile of Ethyl vanillin propylene glycol acetal
Property Insights of Ethyl vanillin propylene glycol acetal
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl vanillin propylene glycol acetal. With a topological polar surface area (TPSA) of 47.9 Ų, Ethyl vanillin propylene glycol acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl vanillin propylene glycol acetal has 1 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 Ethyl vanillin propylene glycol acetal?
The CAS number of Ethyl vanillin propylene glycol acetal is 68527-76-4.
What is the molecular formula of Ethyl vanillin propylene glycol acetal?
The molecular formula of Ethyl vanillin propylene glycol acetal is C12H16O4.
What is the molecular weight of Ethyl vanillin propylene glycol acetal?
The molecular weight of Ethyl vanillin propylene glycol acetal is 224.10 g/mol.
Where can I buy Ethyl vanillin propylene glycol acetal?
You can request a quote for Ethyl vanillin propylene glycol acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl vanillin propylene glycol acetal?
Yes, KEHONG BIO provides custom synthesis services for Ethyl vanillin propylene glycol acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.