Vanillin
TL;DR: Vanillin (CAS 121-33-5) is a chemical compound with molecular formula C8H8O3 and molecular weight 152.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3-methoxybenzaldehyde
Also Known As: vanillin, 4-Hydroxy-3-methoxybenzaldehyde, Vanillaldehyde, Vanillic aldehyde, p-Vanillin
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.04735 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.04735 Da |
| Heavy Atoms | 11 |
| Complexity | 135.0 |
| Purity | 99% |
| Melting Point | 178 to 181 °F (NTP, 1992) |
| Boiling Point | 545 °F at 760 mmHg (NTP, 1992) |
| Density | 1.056 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Flash Point | 153 °C (307 °F) - closed cup |
| Vapor Pressure | 1 mmHg at 225 °F (NTP, 1992) |
| Solubility | Slightly soluble (NTP, 1992) |
| SMILES | COC1=C(C=CC(=C1)C=O)O |
| InChIKey | MWOOGOJBHIARFG-UHFFFAOYSA-N |
Safety Information
H319, H4747
Chemical Property Profile of Vanillin
Property Insights of Vanillin
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillin. With a topological polar surface area (TPSA) of 46.5 Ų, Vanillin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vanillin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Vanillin?
The CAS number of Vanillin is 121-33-5.
What is the molecular formula of Vanillin?
The molecular formula of Vanillin is C8H8O3.
What is the molecular weight of Vanillin?
The molecular weight of Vanillin is 152.04735 g/mol.
Where can I buy Vanillin?
You can request a quote for Vanillin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Vanillin?
Yes, CoreyChem provides custom synthesis services for Vanillin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.