2-乙基己醇
TL;DR: 2-乙基己醇 (CAS 104-76-7) is a chemical compound with molecular formula C8H18O and molecular weight 130.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙基己醇
2-ethylhexan-1-ol
Also Known As: 2-Ethylhexan-1-ol, 2-Ethylhexanol, 2-ETHYL-1-HEXANOL, Ethylhexanol, 2-Ethylhexyl alcohol
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 52.0 |
| Melting Point | -76.1 °C |
| Boiling Point | 363 to 185.0 °C at 760 mmHg |
| Density | 0.834 at 20.0 °C - Less dense than water; will float |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 81.1 °C |
| Vapor Pressure | 0.05 mmHg at 20.0 °C |
| Refractive Index | 1.4300 at 20 °C |
Chemical Identifiers
| CAS Number | 104-76-7 |
|---|---|
| SMILES | CCCCC(CC)CO |
| InChIKey | YIWUKEYIRIRTPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙基己醇 (CAS 104-76-7), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 2-ethylhexan-1-ol.
Chemical Property Profile of 2-乙基己醇
Property Insights of 2-乙基己醇
The XLogP value of 3.1 indicates that 2-乙基己醇 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-乙基己醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙基己醇 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
Frequently Asked Questions
What is the CAS number of 2-乙基己醇?
The CAS number of 2-乙基己醇 is 104-76-7.
What is the molecular formula of 2-乙基己醇?
The molecular formula of 2-乙基己醇 is C8H18O.
What is the molecular weight of 2-乙基己醇?
The molecular weight of 2-乙基己醇 is 130.14 g/mol.
Where can I buy 2-乙基己醇?
You can request a quote for 2-乙基己醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙基己醇?
Yes, KEHONG BIO provides custom synthesis services for 2-乙基己醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.