3-Methylsalicylic Acid
TL;DR: 3-Methylsalicylic Acid (CAS 83-40-9) 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.
2-hydroxy-3-methylbenzoic acid
Also Known As: 3-Methylsalicylic acid, Hydroxytoluic acid, 2-Hydroxy-3-methylbenzoic acid, Cresotic acid, o-Cresotinic acid
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 | 2.9 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 152.04735 Da |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| Vapor Pressure | 0.0000514 [mmHg] |
| SMILES | CC1=C(C(=CC=C1)C(=O)O)O |
| InChIKey | WHSXTWFYRGOBGO-UHFFFAOYSA-N |
Product Description
Applications: 3-Methylsalicylic 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. CoreyChem supplies 3-Methylsalicylic Acid (CAS 83-40-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Methylsalicylic Acid (CAS 83-40-9) is a pharmaceutical intermediate with the molecular formula C8H8O3 and a molecular weight of 152.05 g/mol. It is also known as 3-Methylsalicylic acid and Hydroxytoluic 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 3-Methylsalicylic Acid
Property Insights of 3-Methylsalicylic Acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylsalicylic Acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Methylsalicylic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylsalicylic Acid 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
What is the CAS number of 3-Methylsalicylic Acid?
The CAS number of 3-Methylsalicylic Acid is 83-40-9.
What is the molecular formula of 3-Methylsalicylic Acid?
The molecular formula of 3-Methylsalicylic Acid is C8H8O3.
What is the molecular weight of 3-Methylsalicylic Acid?
The molecular weight of 3-Methylsalicylic Acid is 152.04735 g/mol.
What are the applications of 3-Methylsalicylic Acid?
3-Methylsalicylic 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. CoreyChem supplies 3-Methylsalicylic Acid (CAS...
Where can I buy 3-Methylsalicylic Acid?
You can request a quote for 3-Methylsalicylic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylsalicylic Acid?
Yes, CoreyChem provides custom synthesis services for 3-Methylsalicylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.