3-Methylbenzoic acid
TL;DR: 3-Methylbenzoic acid (CAS 99-04-7) is a chemical compound with molecular formula C8H8O2 and molecular weight 136.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylbenzoic acid
Also Known As: 3-Methylbenzoic acid, M-TOLUIC ACID, m-Toluylic acid, 3-Toluic acid, meta-Toluic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.05243 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.05243 Da |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
| Melting Point | 232 to 235 °F (NTP, 1992) |
| Boiling Point | 504 °F at 760 mmHg (sublimes) (NTP, 1992) |
| Density | 1.054 at 234 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 1 mmHg at 207 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CC1=CC(=CC=C1)C(=O)O |
| InChIKey | GPSDUZXPYCFOSQ-UHFFFAOYSA-N |
Product Description
Applications: 3-Methylbenzoic acid is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. 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-Methylbenzoic acid is a organic building block identified by CAS number 99-04-7 and the molecular formula C8H8O2 and a molecular weight of 136.05 g/mol. Physically, the compound has a density of 1.054 at 234 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). Synonyms include 3-Methylbenzoic acid and M-TOLUIC 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-Methylbenzoic acid
Property Insights of 3-Methylbenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzoic 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-Methylbenzoic acid?
The CAS number of 3-Methylbenzoic acid is 99-04-7.
What is the molecular formula of 3-Methylbenzoic acid?
The molecular formula of 3-Methylbenzoic acid is C8H8O2.
What is the molecular weight of 3-Methylbenzoic acid?
The molecular weight of 3-Methylbenzoic acid is 136.05243 g/mol.
What are the applications of 3-Methylbenzoic acid?
3-Methylbenzoic acid is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 3-Methylbenzoic acid?
You can request a quote for 3-Methylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.