Hexanoic Acid
TL;DR: Hexanoic Acid (CAS 142-62-1) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexanoic acid
Also Known As: HEXANOIC ACID, Caproic acid, n-Hexanoic acid, n-Caproic acid, Capronic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.08373 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.08373 Da |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
| Melting Point | 27 °F (NTP, 1992) |
| Boiling Point | 396 to 397 °F at 760 mmHg (NTP, 1992) |
| Density | 0.927 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 220 °F (NTP, 1992) |
| Vapor Pressure | 0.2 mmHg at 68 °F ; 1 mmHg at 158 °F; 20 mmHg at 233.2 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4170 at 20 C/D |
| Solubility | 5 to 10 mg/mL at 72 °F (NTP, 1992) |
| SMILES | CCCCCC(=O)O |
| InChIKey | FUZZWVXGSFPDMH-UHFFFAOYSA-N |
Product Description
Applications: Hexanoic 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Hexanoic Acid is a pharmaceutical intermediate identified by CAS number 142-62-1 and the molecular formula C6H12O2 and a molecular weight of 116.08 g/mol. Physically, the compound has a density of 0.927 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 5 to 10 mg/mL at 72 °F (NTP, 1992). Synonyms include HEXANOIC ACID and Caproic 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 Hexanoic Acid
Property Insights of Hexanoic Acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, Hexanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic 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 Hexanoic Acid?
The CAS number of Hexanoic Acid is 142-62-1.
What is the molecular formula of Hexanoic Acid?
The molecular formula of Hexanoic Acid is C6H12O2.
What is the molecular weight of Hexanoic Acid?
The molecular weight of Hexanoic Acid is 116.08373 g/mol.
What are the applications of Hexanoic Acid?
Hexanoic 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. Available from CoreyChem as both catalog item and...
Where can I buy Hexanoic Acid?
You can request a quote for Hexanoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexanoic Acid?
Yes, CoreyChem provides custom synthesis services for Hexanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.