4-Isopropylbenzoic Acid
TL;DR: 4-Isopropylbenzoic Acid (CAS 536-66-3) 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.
4-propan-2-ylbenzoic acid
Also Known As: 4-Isopropylbenzoic acid, Cuminic acid, CUMIC ACID, p-Isopropylbenzoic acid, p-cumic acid
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.08372 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 Da |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
| Melting Point | 117 - 118 °C |
| Solubility | 0.151 mg/mL at 25 °C |
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)O |
| InChIKey | CKMXAIVXVKGGFM-UHFFFAOYSA-N |
Product Description
Applications: 4-Isopropylbenzoic 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 4-Isopropylbenzoic Acid (CAS 536-66-3) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Isopropylbenzoic Acid is a pharmaceutical intermediate identified by CAS number 536-66-3 and the molecular formula C10H12O2 and a molecular weight of 164.08 g/mol. Physically, the compound has a solubility: 0.151 mg/mL at 25 °C. It is also known as 4-Isopropylbenzoic acid and Cuminic 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 4-Isopropylbenzoic Acid
Property Insights of 4-Isopropylbenzoic Acid
The XLogP value of 3.4 indicates that 4-Isopropylbenzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Isopropylbenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylbenzoic 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 4-Isopropylbenzoic Acid?
The CAS number of 4-Isopropylbenzoic Acid is 536-66-3.
What is the molecular formula of 4-Isopropylbenzoic Acid?
The molecular formula of 4-Isopropylbenzoic Acid is C10H12O2.
What is the molecular weight of 4-Isopropylbenzoic Acid?
The molecular weight of 4-Isopropylbenzoic Acid is 164.08372 g/mol.
What are the applications of 4-Isopropylbenzoic Acid?
4-Isopropylbenzoic 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 4-Isopropylbenzoic Acid (CAS...
Where can I buy 4-Isopropylbenzoic Acid?
You can request a quote for 4-Isopropylbenzoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isopropylbenzoic Acid?
Yes, CoreyChem provides custom synthesis services for 4-Isopropylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.