Isopropylethanediol
TL;DR: Isopropylethanediol (CAS 109-59-1) is a chemical compound with molecular formula C5H12O2 and molecular weight 104.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxyethanol
Also Known As: 2-Isopropoxyethanol, Isopropyl oxitol, Dowanal EiPAT, Isopropyl glycol, Isopropyl cellosolve
| Molecular Formula | C5H12O2 |
|---|---|
| Molecular Weight | 104.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 104.08373 |
| Heavy Atoms | 7 |
| Complexity | 35.0 |
| Melting Point | -60 °C |
| Boiling Point | 141.0 °C at 760 mmHg |
| Density | 0.91 - Less dense than water; will float |
| Solubility | Miscible (NIOSH, 2024) |
| Flash Point | 33.0 °C |
| Vapor Pressure | 3 mmHg |
| Refractive Index | 1.4095 @ 20 °C |
Chemical Identifiers
| CAS Number | 109-59-1 |
|---|---|
| SMILES | CC(C)OCCO |
| InChIKey | HCGFUIQPSOCUHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropylethanediol (CAS 109-59-1), with molecular formula C5H12O2 and molecular weight 104.08 g/mol. IUPAC: 2-propan-2-yloxyethanol.
Chemical Property Profile of Isopropylethanediol
Property Insights of Isopropylethanediol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropylethanediol. With a topological polar surface area (TPSA) of 29.5 Ų, Isopropylethanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropylethanediol 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
Frequently Asked Questions
What is the CAS number of Isopropylethanediol?
The CAS number of Isopropylethanediol is 109-59-1.
What is the molecular formula of Isopropylethanediol?
The molecular formula of Isopropylethanediol is C5H12O2.
What is the molecular weight of Isopropylethanediol?
The molecular weight of Isopropylethanediol is 104.08 g/mol.
Where can I buy Isopropylethanediol?
You can request a quote for Isopropylethanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropylethanediol?
Yes, KEHONG BIO provides custom synthesis services for Isopropylethanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.