乙二醇单丁醚
TL;DR: 乙二醇单丁醚 (CAS 111-76-2) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙二醇单丁醚
2-butoxyethanol
Also Known As: 2-Butoxyethanol, Butoxyethanol, Butyl glycol, Butyl cellosolve, n-Butoxyethanol
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 37.0 |
| Melting Point | -70.0 °C |
| Boiling Point | 171.1 °C at 743 mmHg |
| Density | 0.902 at 20.0 °C - Less dense than water; will float |
| Solubility | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 60.6 °C |
| Vapor Pressure | 0.76 mmHg at 20.0 °C ; 0.88 mmHg at 25.0 °C; 300 mmHg at 140.0 °C |
| Refractive Index | 1.4198 at 20 °C |
Chemical Identifiers
| CAS Number | 111-76-2 |
|---|---|
| SMILES | CCCCOCCO |
| InChIKey | POAOYUHQDCAZBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙二醇单丁醚 (CAS 111-76-2), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 2-butoxyethanol.
Chemical Property Profile of 乙二醇单丁醚
Property Insights of 乙二醇单丁醚
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙二醇单丁醚. With a topological polar surface area (TPSA) of 29.5 Ų, 乙二醇单丁醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙二醇单丁醚 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 乙二醇单丁醚?
The CAS number of 乙二醇单丁醚 is 111-76-2.
What is the molecular formula of 乙二醇单丁醚?
The molecular formula of 乙二醇单丁醚 is C6H14O2.
What is the molecular weight of 乙二醇单丁醚?
The molecular weight of 乙二醇单丁醚 is 118.10 g/mol.
Where can I buy 乙二醇单丁醚?
You can request a quote for 乙二醇单丁醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙二醇单丁醚?
Yes, KEHONG BIO provides custom synthesis services for 乙二醇单丁醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.