P-Toluic Acid
TL;DR: P-Toluic Acid (CAS 99-94-5) 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.
4-methylbenzoic acid
Also Known As: 4-Methylbenzoic acid, P-TOLUIC ACID, 4-Toluic acid, Crithminic acid, p-Methylbenzoic 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 | 2.3 |
| 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 | 123.0 |
| Melting Point | 356 to 360 °F (NTP, 1992) |
| Boiling Point | 525 to 527 °F at 760 mmHg (NTP, 1992) |
| Vapor Pressure | 0.0061 [mmHg] |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| SMILES | CC1=CC=C(C=C1)C(=O)O |
| InChIKey | LPNBBFKOUUSUDB-UHFFFAOYSA-N |
Product Description
Applications: P-Toluic Acid is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies P-Toluic Acid (CAS 99-94-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
P-Toluic Acid is a organic building block identified by CAS number 99-94-5 and the molecular formula C8H8O2 and a molecular weight of 136.05 g/mol. Physically, the compound has a solubility: less than 1 mg/mL at 66 °F (NTP, 1992). It is also known as 4-Methylbenzoic acid and P-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 P-Toluic Acid
Property Insights of P-Toluic Acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for P-Toluic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, P-Toluic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, P-Toluic 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 P-Toluic Acid?
The CAS number of P-Toluic Acid is 99-94-5.
What is the molecular formula of P-Toluic Acid?
The molecular formula of P-Toluic Acid is C8H8O2.
What is the molecular weight of P-Toluic Acid?
The molecular weight of P-Toluic Acid is 136.05243 g/mol.
What are the applications of P-Toluic Acid?
P-Toluic Acid is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies P-Toluic Acid (CAS...
Where can I buy P-Toluic Acid?
You can request a quote for P-Toluic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for P-Toluic Acid?
Yes, CoreyChem provides custom synthesis services for P-Toluic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.