2,4,6-Trimethylbenzoic acid
TL;DR: 2,4,6-Trimethylbenzoic acid (CAS 480-63-7) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6-trimethylbenzoic acid
Also Known As: 2,4,6-TRIMETHYLBENZOIC ACID, Mesitoic acid, Mesitylenecarboxylic acid, beta-Isodurylic acid, Benzoic acid, 2,4,6-trimethyl-
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)O)C |
| InChIKey | FFFIRKXTFQCCKJ-UHFFFAOYSA-N |
Product Description
Applications: 2,4,6-Trimethylbenzoic 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).
2,4,6-Trimethylbenzoic acid is a pharmaceutical intermediate identified by CAS number 480-63-7 and the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. Synonyms include 2,4,6-TRIMETHYLBENZOIC ACID and Mesitoic 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 2,4,6-Trimethylbenzoic acid
Property Insights of 2,4,6-Trimethylbenzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trimethylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4,6-Trimethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trimethylbenzoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4,6-Trimethylbenzoic acid?
The CAS number of 2,4,6-Trimethylbenzoic acid is 480-63-7.
What is the molecular formula of 2,4,6-Trimethylbenzoic acid?
The molecular formula of 2,4,6-Trimethylbenzoic acid is C10H12O2.
What is the molecular weight of 2,4,6-Trimethylbenzoic acid?
The molecular weight of 2,4,6-Trimethylbenzoic acid is 164.08372 g/mol.
What are the applications of 2,4,6-Trimethylbenzoic acid?
2,4,6-Trimethylbenzoic 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...
Where can I buy 2,4,6-Trimethylbenzoic acid?
You can request a quote for 2,4,6-Trimethylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4,6-Trimethylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2,4,6-Trimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.