Vanillic Acid
TL;DR: Vanillic Acid (CAS 121-34-6) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3-methoxybenzoic acid
Also Known As: Vanillic acid, 4-HYDROXY-3-METHOXYBENZOIC ACID, Acide vanillique, Vanillate, p-Vanillic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.04225 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 Da |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
| Melting Point | 211.5 |
| Vapor Pressure | 0.0000171 [mmHg] |
| Solubility | 1500 |
| SMILES | COC1=C(C=CC(=C1)C(=O)O)O |
| InChIKey | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
Product Description
Applications: Vanillic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Vanillic Acid (CAS 121-34-6) is a pharmaceutical intermediate with the molecular formula C8H8O4 and a molecular weight of 168.04 g/mol. Key physical properties include a solubility: 1500. Synonyms include Vanillic acid and 4-HYDROXY-3-METHOXYBENZOIC ACID.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Vanillic Acid
Property Insights of Vanillic Acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vanillic Acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Vanillic Acid. Following Lipinski's Rule of Five, Vanillic Acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Vanillic Acid?
The CAS number of Vanillic Acid is 121-34-6.
What is the molecular formula of Vanillic Acid?
The molecular formula of Vanillic Acid is C8H8O4.
What is the molecular weight of Vanillic Acid?
The molecular weight of Vanillic Acid is 168.04225 g/mol.
What are the applications of Vanillic Acid?
Vanillic Acid is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Vanillic Acid?
You can request a quote for Vanillic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Vanillic Acid?
Yes, CoreyChem provides custom synthesis services for Vanillic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.