Ethyl vanillyl alcohol
TL;DR: Ethyl vanillyl alcohol (CAS 4912-58-7) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-4-(hydroxymethyl)phenol
Also Known As: 3-Ethoxy-4-hydroxybenzyl alcohol, 2-Ethoxy-4-(hydroxymethyl)phenol, Ethyl vanillyl alcohol, Benzenemethanol, 3-ethoxy-4-hydroxy-, FEMA NO. 4893
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 4912-58-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)CO)O |
| InChIKey | ULCZGZGLABEWDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl vanillyl alcohol (CAS 4912-58-7), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 2-ethoxy-4-(hydroxymethyl)phenol.
Chemical Property Profile of Ethyl vanillyl alcohol
Property Insights of Ethyl vanillyl alcohol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl vanillyl alcohol. With a topological polar surface area (TPSA) of 49.7 Ų, Ethyl vanillyl alcohol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl vanillyl alcohol has 2 hydrogen bond donor(s) and 3 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 vanillyl alcohol?
The CAS number of Ethyl vanillyl alcohol is 4912-58-7.
What is the molecular formula of Ethyl vanillyl alcohol?
The molecular formula of Ethyl vanillyl alcohol is C9H12O3.
What is the molecular weight of Ethyl vanillyl alcohol?
The molecular weight of Ethyl vanillyl alcohol is 168.08 g/mol.
Where can I buy Ethyl vanillyl alcohol?
You can request a quote for Ethyl vanillyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl vanillyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for Ethyl vanillyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.