Cyclohexanecarboxylic acid
TL;DR: Cyclohexanecarboxylic acid (CAS 98-89-5) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohexanecarboxylic acid
Also Known As: CYCLOHEXANECARBOXYLIC ACID, Hexahydrobenzoic acid, Carboxycyclohexane, Cyclohexanoic acid, Cyclohexylcarboxylic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08372 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.08372 Da |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
| Melting Point | 31 - 32 °C |
| Boiling Point | 232.00 to 233.00 °C. @ 760.00 mm Hg |
| Density | 1.029-1.037 |
| Vapor Pressure | 0.03 [mmHg] |
| Refractive Index | 1.516-1.520 |
| Solubility | 4.6 mg/mL at 25 °C |
| SMILES | C1CCC(CC1)C(=O)O |
| InChIKey | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
Product Description
Applications: Cyclohexanecarboxylic 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).
Cyclohexanecarboxylic acid (CAS 98-89-5) is a heterocyclic building block with the molecular formula C7H12O2 and a molecular weight of 128.08 g/mol. Key physical properties include a density of 1.029-1.037 g/cm³, a solubility: 4.6 mg/mL at 25 °C. Synonyms include CYCLOHEXANECARBOXYLIC ACID and Hexahydrobenzoic 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 Cyclohexanecarboxylic acid
Property Insights of Cyclohexanecarboxylic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanecarboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Cyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic 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 Cyclohexanecarboxylic acid?
The CAS number of Cyclohexanecarboxylic acid is 98-89-5.
What is the molecular formula of Cyclohexanecarboxylic acid?
The molecular formula of Cyclohexanecarboxylic acid is C7H12O2.
What is the molecular weight of Cyclohexanecarboxylic acid?
The molecular weight of Cyclohexanecarboxylic acid is 128.08372 g/mol.
What are the applications of Cyclohexanecarboxylic acid?
Cyclohexanecarboxylic 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...
Where can I buy Cyclohexanecarboxylic acid?
You can request a quote for Cyclohexanecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexanecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for Cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.