2-Ethylhexanol
TL;DR: 2-Ethylhexanol (CAS 104-76-7) is a chemical compound with molecular formula C8H18O and molecular weight 130.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexan-1-ol
Also Known As: 2-Ethylhexan-1-ol, 2-Ethylhexanol, 2-ETHYL-1-HEXANOL, Ethylhexanol, 2-Ethylhexyl alcohol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18O |
| Molecular Weight | 130.13577 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.13577 Da |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
| Melting Point | -105 °F (NTP, 1992) |
| Boiling Point | 363 to 365 °F at 760 mmHg (NTP, 1992) |
| Density | 0.834 at 68 °F (USCG, 1999) - Less dense than water; will float |
| Flash Point | 178 °F (NTP, 1992) |
| Vapor Pressure | 0.05 mmHg at 68 °F (NTP, 1992) |
| Refractive Index | Index of refraction: 1.4300 at 20 °C/D |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | CCCCC(CC)CO |
| InChIKey | YIWUKEYIRIRTPP-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylhexanol
Property Insights of 2-Ethylhexanol
The XLogP value of 3.1 indicates that 2-Ethylhexanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Ethylhexanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexanol has 1 hydrogen bond donor(s) and 1 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-Ethylhexanol?
The CAS number of 2-Ethylhexanol is 104-76-7.
What is the molecular formula of 2-Ethylhexanol?
The molecular formula of 2-Ethylhexanol is C8H18O.
What is the molecular weight of 2-Ethylhexanol?
The molecular weight of 2-Ethylhexanol is 130.13577 g/mol.
Where can I buy 2-Ethylhexanol?
You can request a quote for 2-Ethylhexanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylhexanol?
Yes, CoreyChem provides custom synthesis services for 2-Ethylhexanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.