1,8-Diacetoxy-3,6-dioxaoctane
TL;DR: 1,8-Diacetoxy-3,6-dioxaoctane (CAS 111-21-7) is a chemical compound with molecular formula C10H18O6 and molecular weight 234.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-acetyloxyethoxy)ethoxy]ethyl acetate
Also Known As: Triethylene glycol diacetate, TDAC, Triglycol, diacetate, TRIGLYCOL DIACETATE, triethyleneglycoldiacetate
| Molecular Formula | C10H18O6 |
|---|---|
| Molecular Weight | 234.11 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 234.11034 |
| Heavy Atoms | 16 |
| Complexity | 181.0 |
| Melting Point | -50.0 °C |
| Boiling Point | 300.0 °C at 760 mmHg |
| Density | 1.1173 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Flash Point | 173.9 °C |
| Vapor Pressure | 19 mmHg at 25.0 °C |
| Refractive Index | 1.437 AT 25 °C |
Chemical Identifiers
| CAS Number | 111-21-7 |
|---|---|
| SMILES | CC(=O)OCCOCCOCCOC(=O)C |
| InChIKey | OVOUKWFJRHALDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-Diacetoxy-3,6-dioxaoctane (CAS 111-21-7), with molecular formula C10H18O6 and molecular weight 234.11 g/mol. IUPAC: 2-[2-(2-acetyloxyethoxy)ethoxy]ethyl acetate.
Chemical Property Profile of 1,8-Diacetoxy-3,6-dioxaoctane
Property Insights of 1,8-Diacetoxy-3,6-dioxaoctane
The XLogP value of -0.3 indicates that 1,8-Diacetoxy-3,6-dioxaoctane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Diacetoxy-3,6-dioxaoctane. Following Lipinski's Rule of Five, 1,8-Diacetoxy-3,6-dioxaoctane has 0 hydrogen bond donor(s) and 6 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 1,8-Diacetoxy-3,6-dioxaoctane?
The CAS number of 1,8-Diacetoxy-3,6-dioxaoctane is 111-21-7.
What is the molecular formula of 1,8-Diacetoxy-3,6-dioxaoctane?
The molecular formula of 1,8-Diacetoxy-3,6-dioxaoctane is C10H18O6.
What is the molecular weight of 1,8-Diacetoxy-3,6-dioxaoctane?
The molecular weight of 1,8-Diacetoxy-3,6-dioxaoctane is 234.11 g/mol.
Where can I buy 1,8-Diacetoxy-3,6-dioxaoctane?
You can request a quote for 1,8-Diacetoxy-3,6-dioxaoctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Diacetoxy-3,6-dioxaoctane?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Diacetoxy-3,6-dioxaoctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.