Heptanoic Acid
TL;DR: Heptanoic Acid (CAS 111-14-8) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptanoic acid
Also Known As: HEPTANOIC ACID, Enanthic acid, Enanthylic acid, Oenanthic acid, Heptoic acid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.09938 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.09938 Da |
| Heavy Atoms | 9 |
| Complexity | 79.0 |
| Melting Point | 16 °F (NTP, 1992) |
| Boiling Point | 432 to 473 °F at 760 mmHg (NTP, 1992) |
| Density | 0.92 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | greater than 235 °F (NTP, 1992) |
| Vapor Pressure | 1 mmHg at 172 °F ; 100 mmHg at 320 °F; 760 mmHg at 430.7 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.42162 at 20 °C/D; index of refraction: 1.4289 at 15 °C/D |
| Solubility | 1 to 10 mg/mL at 73 °F (NTP, 1992) |
| SMILES | CCCCCCC(=O)O |
| InChIKey | MNWFXJYAOYHMED-UHFFFAOYSA-N |
Product Description
Applications: Heptanoic 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 Heptanoic Acid (CAS 111-14-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Heptanoic Acid (CAS 111-14-8) has the molecular formula C7H14O2 and a molecular weight of 130.1 g/mol. Reported properties include a density of 0.92 at 68 °F (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: 1 to 10 mg/mL at 73 °F (NTP, 1992). It is also known as HEPTANOIC ACID and Enanthic 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 Heptanoic Acid
Property Insights of Heptanoic Acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, Heptanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic 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 Heptanoic Acid?
The CAS number of Heptanoic Acid is 111-14-8.
What is the molecular formula of Heptanoic Acid?
The molecular formula of Heptanoic Acid is C7H14O2.
What is the molecular weight of Heptanoic Acid?
The molecular weight of Heptanoic Acid is 130.09938 g/mol.
What are the applications of Heptanoic Acid?
Heptanoic 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 Heptanoic Acid (CAS 111-14-8) with...
Where can I buy Heptanoic Acid?
You can request a quote for Heptanoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Heptanoic Acid?
Yes, CoreyChem provides custom synthesis services for Heptanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.