4-tert-Butylbenzoic acid
TL;DR: 4-tert-Butylbenzoic acid (CAS 98-73-7) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butylbenzoic acid
Also Known As: 4-tert-Butylbenzoic acid, 4-(tert-butyl)benzoic acid, TBBA, P-TERT-BUTYLBENZOIC ACID, 4-t-butylbenzoic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 Da |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
| Melting Point | 164.5-165.5 °C |
| Density | 1.142 @ 20°C |
| Flash Point | 158 °C |
| Vapor Pressure | 0.000636 [mmHg] |
| Solubility | INSOL IN WATER; VERY SOL IN ALCOHOL & BENZENE |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)O |
| InChIKey | KDVYCTOWXSLNNI-UHFFFAOYSA-N |
Product Description
Applications: 4-tert-Butylbenzoic acid is used in polymer additives and plastics compounding, 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).
4-tert-Butylbenzoic acid (CAS 98-73-7) is a plastic additive with the molecular formula C11H14O2 and a molecular weight of 178.1 g/mol. Key physical properties include a density of 1.142 @ 20°C g/cm³, a solubility: INSOL IN WATER; VERY SOL IN ALCOHOL & BENZENE. Synonyms include 4-tert-Butylbenzoic acid and 4-(tert-butyl)benzoic 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-tert-Butylbenzoic acid
Property Insights of 4-tert-Butylbenzoic acid
The XLogP value of 3.9 indicates that 4-tert-Butylbenzoic 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-tert-Butylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylbenzoic 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-tert-Butylbenzoic acid?
The CAS number of 4-tert-Butylbenzoic acid is 98-73-7.
What is the molecular formula of 4-tert-Butylbenzoic acid?
The molecular formula of 4-tert-Butylbenzoic acid is C11H14O2.
What is the molecular weight of 4-tert-Butylbenzoic acid?
The molecular weight of 4-tert-Butylbenzoic acid is 178.09938 g/mol.
What are the applications of 4-tert-Butylbenzoic acid?
4-tert-Butylbenzoic acid is used in polymer additives and plastics compounding, 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...
Where can I buy 4-tert-Butylbenzoic acid?
You can request a quote for 4-tert-Butylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.