2-Ethyl-1,3-Hexanediol
TL;DR: 2-Ethyl-1,3-Hexanediol (CAS 94-96-2) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylhexane-1,3-diol
Also Known As: Ethohexadiol, 2-ETHYL-1,3-HEXANEDIOL, 2-Ethylhexane-1,3-diol, Ethyl hexanediol, Octylene glycol
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H18O2 |
| Molecular Weight | 146.13068 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 Da |
| Heavy Atoms | 10 |
| Complexity | 73.0 |
| Melting Point | -40 °C |
| Boiling Point | 244.2 °C @ 760 MM HG |
| Density | 0.9325 @ 22 °C/4 °C |
| Flash Point | 127 °C |
| Vapor Pressure | LESS THAN 0.01 MM HG @ 20 °C |
| Refractive Index | INDEX OF REFRACTION: 1.4530 @ 22 °C/D |
| Solubility | SOL IN WATER 0.6% WT/WT; SOLUBILITY OF WATER IN ETHOHEXADIOL 10.8% WT/WT; SOL IN ETHANOL, ISOPROPANOL, PROPYLENE GLYCOL, CASTOR OIL |
| SMILES | CCCC(C(CC)CO)O |
| InChIKey | RWLALWYNXFYRGW-UHFFFAOYSA-N |
Product Description
Applications: 2-Ethyl-1,3-Hexanediol 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-Ethyl-1,3-Hexanediol (CAS 94-96-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2-Ethyl-1,3-Hexanediol is a polymer intermediate identified by CAS number 94-96-2 and the molecular formula C8H18O2 and a molecular weight of 146.13 g/mol. Physically, the compound has a density of 0.9325 @ 22 °C/4 °C g/cm³, a solubility: SOL IN WATER 0.6% WT/WT; SOLUBILITY OF WATER IN ETHOHEXADIOL 10.8% WT/WT; SOL IN ETHANOL, ISOPROPANOL, PROPYLENE GLYCOL, CASTOR OIL. It is also known as Ethohexadiol and 2-ETHYL-1,3-HEXANEDIOL.
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-Ethyl-1,3-Hexanediol
Property Insights of 2-Ethyl-1,3-Hexanediol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1,3-Hexanediol. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Ethyl-1,3-Hexanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-1,3-Hexanediol has 2 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-Ethyl-1,3-Hexanediol?
The CAS number of 2-Ethyl-1,3-Hexanediol is 94-96-2.
What is the molecular formula of 2-Ethyl-1,3-Hexanediol?
The molecular formula of 2-Ethyl-1,3-Hexanediol is C8H18O2.
What is the molecular weight of 2-Ethyl-1,3-Hexanediol?
The molecular weight of 2-Ethyl-1,3-Hexanediol is 146.13068 g/mol.
What are the applications of 2-Ethyl-1,3-Hexanediol?
2-Ethyl-1,3-Hexanediol 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-Ethyl-1,3-Hexanediol (CAS 94-96-2) with custom...
Where can I buy 2-Ethyl-1,3-Hexanediol?
You can request a quote for 2-Ethyl-1,3-Hexanediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethyl-1,3-Hexanediol?
Yes, CoreyChem provides custom synthesis services for 2-Ethyl-1,3-Hexanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.