2-Ethylhexanoic Acid
TL;DR: 2-Ethylhexanoic Acid (CAS 149-57-5) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexanoic acid
Also Known As: 2-ETHYLHEXANOIC ACID, 2-Ethylcaproic acid, Ethylhexoic acid, Ethylhexanoic acid, Hexanoic acid, 2-ethyl-
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H16O2 |
| Molecular Weight | 144.11504 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 Da |
| Heavy Atoms | 10 |
| Complexity | 99.0 |
| Melting Point | -117 °F (NTP, 1992) |
| Boiling Point | 442 °F at 760 mmHg (NTP, 1992) |
| Density | 0.903 (USCG, 1999) - Less dense than water; will float |
| Flash Point | 260 °F (NTP, 1992) |
| Vapor Pressure | 0.03 [mmHg] |
| Refractive Index | Index of refraction: 1.4241 at 20 °C/D |
| Solubility | less than 1 mg/mL at 84 °F (NTP, 1992) |
| SMILES | CCCCC(CC)C(=O)O |
| InChIKey | OBETXYAYXDNJHR-UHFFFAOYSA-N |
Product Description
Applications: 2-Ethylhexanoic Acid is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Ethylhexanoic Acid (CAS 149-57-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A polymer intermediate supplied by CoreyChem, 2-Ethylhexanoic Acid (CAS 149-57-5) has the molecular formula C8H16O2 and a molecular weight of 144.12 g/mol. Reported properties include a density of 0.903 (USCG, 1999) - Less dense than water; will float g/cm³, a solubility: less than 1 mg/mL at 84 °F (NTP, 1992). It is also known as 2-ETHYLHEXANOIC ACID and 2-Ethylcaproic 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 2-Ethylhexanoic Acid
Property Insights of 2-Ethylhexanoic Acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylhexanoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Ethylhexanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexanoic 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 2-Ethylhexanoic Acid?
The CAS number of 2-Ethylhexanoic Acid is 149-57-5.
What is the molecular formula of 2-Ethylhexanoic Acid?
The molecular formula of 2-Ethylhexanoic Acid is C8H16O2.
What is the molecular weight of 2-Ethylhexanoic Acid?
The molecular weight of 2-Ethylhexanoic Acid is 144.11504 g/mol.
What are the applications of 2-Ethylhexanoic Acid?
2-Ethylhexanoic Acid is used in polymer chemistry and functional materials synthesis, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 2-Ethylhexanoic Acid (CAS 149-57-5) with custom...
Where can I buy 2-Ethylhexanoic Acid?
You can request a quote for 2-Ethylhexanoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylhexanoic Acid?
Yes, CoreyChem provides custom synthesis services for 2-Ethylhexanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.