3,5-Dimethylbenzoic acid
TL;DR: 3,5-Dimethylbenzoic acid (CAS 499-06-9) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-dimethylbenzoic acid
Also Known As: 3,5-DIMETHYLBENZOIC ACID, Mesitylenic acid, Benzoic acid, 3,5-dimethyl-, 3,5-Dimethylbezoic acid, 3,5-Dimethylbenzoicacid
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.06808 Da |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
| SMILES | CC1=CC(=CC(=C1)C(=O)O)C |
| InChIKey | UMVOQQDNEYOJOK-UHFFFAOYSA-N |
Product Description
Applications: 3,5-Dimethylbenzoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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).
3,5-Dimethylbenzoic acid (CAS 499-06-9) is a heterocyclic building block with the molecular formula C9H10O2 and a molecular weight of 150.07 g/mol. Synonyms include 3,5-DIMETHYLBENZOIC ACID and Mesitylenic 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 3,5-Dimethylbenzoic acid
Property Insights of 3,5-Dimethylbenzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Dimethylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylbenzoic 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 3,5-Dimethylbenzoic acid?
The CAS number of 3,5-Dimethylbenzoic acid is 499-06-9.
What is the molecular formula of 3,5-Dimethylbenzoic acid?
The molecular formula of 3,5-Dimethylbenzoic acid is C9H10O2.
What is the molecular weight of 3,5-Dimethylbenzoic acid?
The molecular weight of 3,5-Dimethylbenzoic acid is 150.06808 g/mol.
What are the applications of 3,5-Dimethylbenzoic acid?
3,5-Dimethylbenzoic acid is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3,5-Dimethylbenzoic acid?
You can request a quote for 3,5-Dimethylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Dimethylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Dimethylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.